(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide

C14H28N2O — CID 61162838

IUPAC(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-4-11(2)13(15)14(17)16(3)10-12-8-6-5-7-9-12/h11-13H,4-10,15H2,1-3H3/t11-,13-/m0/s1
InChIKeyAAFMZFVGJBPUJR-AAEUAGOBSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds5

About (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide

(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide (PubChem CID 61162838) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
PubChem CID61162838
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-4-11(2)13(15)14(17)16(3)10-12-8-6-5-7-9-12/h11-13H,4-10,15H2,1-3H3/t11-,13-/m0/s1
InChIKeyAAFMZFVGJBPUJR-AAEUAGOBSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Valrocemide
CID 6918293
(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
N,N'-1,2-propanediyldicyclohexanecarboxamide
CID 2921928
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
(S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl)-ethanone
CID 44403068
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide (CID 61162838) is (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)CC1CCCCC1.
What is the InChIKey of (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide?
The InChIKey is AAFMZFVGJBPUJR-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-11(2)13(15)14(17)16(3)10-12-8-6-5-7-9-12/h11-13H,4-10,15H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide?
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 61162838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).