N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide

C98H197N7O7 — CID 159215890

IUPACN-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide
SMILESC=CCCC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCCC(C(=O)NC(C)(C)C)C(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCCC(C(=O)NC(C)(C)C)C(C)(C)C.CCCCC(C(=O)NC(C)(C)C)C(C)C.CCCCC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H31NO.C15H29NO.2C14H29NO.C14H27NO.C13H27NO.C13H25NO/c2*1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;2*1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;2*1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h12H,8-11H2,1-7H3,(H,16,17);8,12H,1,9-11H2,2-7H3,(H,16,17);2*11H,8-10H2,1-7H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15);7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyKRBFUIVZVQIDDR-UHFFFAOYSA-N
MW1585.70 g/mol
LogP25.60
Rot. Bonds32

About N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide

N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide (PubChem CID 159215890) has the molecular formula C98H197N7O7 and a molecular weight of 1585.70 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide
PubChem CID159215890
Molecular FormulaC98H197N7O7
Molecular Weight1585.70 g/mol
Exact Mass1584.53
IUPAC NameN-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide
SMILESC=CCCC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCCC(C(=O)NC(C)(C)C)C(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCCC(C(=O)NC(C)(C)C)C(C)(C)C.CCCCC(C(=O)NC(C)(C)C)C(C)C.CCCCC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H31NO.C15H29NO.2C14H29NO.C14H27NO.C13H27NO.C13H25NO/c2*1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;2*1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;2*1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h12H,8-11H2,1-7H3,(H,16,17);8,12H,1,9-11H2,2-7H3,(H,16,17);2*11H,8-10H2,1-7H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15);7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyKRBFUIVZVQIDDR-UHFFFAOYSA-N
XLogP25.60
TPSA203.70 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.70
LogP ≤ 525.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide with MolForge

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Related Compounds

N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhex-5-enamide
CID 160798735
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhexanamide;N,2-ditert-butylhexanamide
CID 161467995
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
CID 161398995
2-tert-butyl-N-propan-2-ylhexanamide
CID 21366386
N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
CID 22972676
methyl (2S)-2-tert-butylnon-8-enoate
CID 160706565
[(3S,4S)-4-methylocta-1,7-dien-3-yl] N-tert-butylcarbamate
CID 140541177
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176
ethyl 2-but-3-enylheptanoate
CID 141221895
2-but-3-enyldecanoic acid;sulfane
CID 174631215

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide?
The IUPAC name of N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide (CID 159215890) is N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide.
What is the SMILES notation for N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide?
The canonical SMILES for N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide is C=CCCC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCCC(C(=O)NC(C)(C)C)C(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCCC(C(=O)NC(C)(C)C)C(C)(C)C.CCCCC(C(=O)NC(C)(C)C)C(C)C.CCCCC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide?
The InChIKey is KRBFUIVZVQIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO.C15H29NO.2C14H29NO.C14H27NO.C13H27NO.C13H25NO/c2*1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;2*1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;2*1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h12H,8-11H2,1-7H3,(H,16,17);8,12H,1,9-11H2,2-7H3,(H,16,17);2*11H,8-10H2,1-7H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15);7,10-11H,1,8-9H2,2-6H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide?
N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide has a molecular weight of 1585.70 g/mol, XLogP of 25.60, 32 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-propan-2-ylhexanamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhexanamide;N,2-ditert-butylhex-5-enamide is sourced from PubChem (CID 159215890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).