(1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C16H32N2O — CID 126617027

IUPAC(1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@H](N)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H32N2O/c1-10(2)13-7-6-12(5)8-14(13)16(19)18-9-15(17)11(3)4/h10-15H,6-9,17H2,1-5H3,(H,18,19)/t12-,13+,14-,15-/m1/s1
InChIKeySGOHVFKWTBQCQS-LXTVHRRPSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds5

About (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 126617027) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID126617027
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@H](N)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H32N2O/c1-10(2)13-7-6-12(5)8-14(13)16(19)18-9-15(17)11(3)4/h10-15H,6-9,17H2,1-5H3,(H,18,19)/t12-,13+,14-,15-/m1/s1
InChIKeySGOHVFKWTBQCQS-LXTVHRRPSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 126617027) is (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@H](N)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is SGOHVFKWTBQCQS-LXTVHRRPSA-N. The full InChI is InChI=1S/C16H32N2O/c1-10(2)13-7-6-12(5)8-14(13)16(19)18-9-15(17)11(3)4/h10-15H,6-9,17H2,1-5H3,(H,18,19)/t12-,13+,14-,15-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[(2S)-2-amino-3-methylbutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 126617027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).