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

C16H32N2O — CID 103951340

IUPAC(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
SMILESCCCC[C@H](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)/t13-/m0/s1
InChIKeyQRPCIOLXVFOINS-ZDUSSCGKSA-N
MW268.44 g/mol
LogP3.22
Rot. Bonds5

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

(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide (PubChem CID 103951340) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
PubChem CID103951340
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
SMILESCCCC[C@H](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)/t13-/m0/s1
InChIKeyQRPCIOLXVFOINS-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide (CID 103951340) is (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide is CCCC[C@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
The InChIKey is QRPCIOLXVFOINS-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide?
(2S)-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 (2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide is sourced from PubChem (CID 103951340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).