(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide

C13H26N2O — CID 163408456

IUPAC(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)9-12(14-3)13(16)15-11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyVITBJCONQFYQQJ-LBPRGKRZSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

About (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide

(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide (PubChem CID 163408456) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
PubChem CID163408456
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)9-12(14-3)13(16)15-11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyVITBJCONQFYQQJ-LBPRGKRZSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide?
The IUPAC name of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide (CID 163408456) is (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide?
The canonical SMILES for (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide is CN[C@@H](CC(C)C)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide?
The InChIKey is VITBJCONQFYQQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)9-12(14-3)13(16)15-11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide?
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 163408456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).