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

C87H170N6O6 — CID 161467995

IUPACN-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
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCCC(CC1CCCC1)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/C16H29NO.C15H31NO.C15H29NO.C14H29NO.C14H25NO.C13H27NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4;2*1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6;1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h5,13-14H,1,6-12H2,2-4H3,(H,17,18);12H,8-11H2,1-7H3,(H,16,17);8,12H,1,9-11H2,2-7H3,(H,16,17);11H,8-10H2,1-7H3,(H,15,16);7,12H,1-2,8-10H2,3-6H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyWCRQYULROLRXMR-UHFFFAOYSA-N
MW1396.35 g/mol
LogP22.69
Rot. Bonds31

About 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

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 (PubChem CID 161467995) has the molecular formula C87H170N6O6 and a molecular weight of 1396.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID161467995
Molecular FormulaC87H170N6O6
Molecular Weight1396.35 g/mol
Exact Mass1395.32
IUPAC NameN-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
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCCC(CC1CCCC1)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/C16H29NO.C15H31NO.C15H29NO.C14H29NO.C14H25NO.C13H27NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4;2*1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6;1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h5,13-14H,1,6-12H2,2-4H3,(H,17,18);12H,8-11H2,1-7H3,(H,16,17);8,12H,1,9-11H2,2-7H3,(H,16,17);11H,8-10H2,1-7H3,(H,15,16);7,12H,1-2,8-10H2,3-6H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyWCRQYULROLRXMR-UHFFFAOYSA-N
XLogP22.69
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001396.35
LogP ≤ 522.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCCC(CC(=C)C)C(=O)NC(C)(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCCC(CC1CCCC1)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-(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?
The InChIKey is WCRQYULROLRXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO.C15H31NO.C15H29NO.C14H29NO.C14H25NO.C13H27NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4;2*1-8-9-10-12(11-14(2,3)4)13(17)16-15(5,6)7;1-8-9-10-11(13(2,3)4)12(16)15-14(5,6)7;1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6;1-7-8-9-11(10(2)3)12(15)14-13(4,5)6/h5,13-14H,1,6-12H2,2-4H3,(H,17,18);12H,8-11H2,1-7H3,(H,16,17);8,12H,1,9-11H2,2-7H3,(H,16,17);11H,8-10H2,1-7H3,(H,15,16);7,12H,1-2,8-10H2,3-6H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 1396.35 g/mol, XLogP of 22.69, 31 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161467995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).