2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide

C16H32N2O — CID 112639940

IUPAC2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
SMILESCCCCC(N)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-6-7-8-13(17)14(19)18-12-9-15(2,3)11-16(4,5)10-12/h12-13H,6-11,17H2,1-5H3,(H,18,19)
InChIKeyQRPCIOLXVFOINS-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.22
Rot. Bonds5

About 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide

2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide (PubChem CID 112639940) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
PubChem CID112639940
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
SMILESCCCCC(N)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-6-7-8-13(17)14(19)18-12-9-15(2,3)11-16(4,5)10-12/h12-13H,6-11,17H2,1-5H3,(H,18,19)
InChIKeyQRPCIOLXVFOINS-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
CID 107146718
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
The IUPAC name of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide (CID 112639940) is 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide.
What is the SMILES notation for 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
The canonical SMILES for 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide is CCCCC(N)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
The InChIKey is QRPCIOLXVFOINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-7-8-13(17)14(19)18-12-9-15(2,3)11-16(4,5)10-12/h12-13H,6-11,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide has a molecular weight of 268.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide is sourced from PubChem (CID 112639940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).