N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide

C14H27NO — CID 20790187

IUPACN-tert-butyl-2-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)CC(CCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO/c1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h12H,2,7-10H2,1,3-6H3,(H,15,16)
InChIKeyIWUFUILGDHEDCB-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.67
Rot. Bonds6

About N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide

N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide (PubChem CID 20790187) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylprop-2-enyl)hexanamide
PubChem CID20790187
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-tert-butyl-2-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)CC(CCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO/c1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h12H,2,7-10H2,1,3-6H3,(H,15,16)
InChIKeyIWUFUILGDHEDCB-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide
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N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide
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(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
CID 20790185
N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
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CID 20790194

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide?
The IUPAC name of N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide (CID 20790187) is N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide?
The canonical SMILES for N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide is C=C(C)CC(CCCC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide?
The InChIKey is IWUFUILGDHEDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-9-12(10-11(2)3)13(16)15-14(4,5)6/h12H,2,7-10H2,1,3-6H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide?
N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide has a molecular weight of 225.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylprop-2-enyl)hexanamide is sourced from PubChem (CID 20790187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).