(2S)-2-amino-N,6-dimethylheptanamide

C9H20N2O — CID 166554166

IUPAC(2S)-2-amino-N,6-dimethylheptanamide
SMILESCNC(=O)[C@@H](N)CCCC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)5-4-6-8(10)9(12)11-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyMBFBOCDMFNXGMQ-QMMMGPOBSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds5

About (2S)-2-amino-N,6-dimethylheptanamide

(2S)-2-amino-N,6-dimethylheptanamide (PubChem CID 166554166) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-amino-N,6-dimethylheptanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,6-dimethylheptanamide
PubChem CID166554166
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-amino-N,6-dimethylheptanamide
SMILESCNC(=O)[C@@H](N)CCCC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)5-4-6-8(10)9(12)11-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyMBFBOCDMFNXGMQ-QMMMGPOBSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N,6-dimethylheptanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N,5-dimethylhexanamide
CID 116850475
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
2-amino-5-hydroxy-N-methylpentanamide;ethane
CID 155713743
2,6-diamino-N-methylhexanamide;ethane
CID 142474602
2-amino-N-methyltetradecanamide
CID 88912425
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
(2R)-2-amino-N-methylbutanamide
CID 14888796
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,6-dimethylheptanamide?
The IUPAC name of (2S)-2-amino-N,6-dimethylheptanamide (CID 166554166) is (2S)-2-amino-N,6-dimethylheptanamide.
What is the SMILES notation for (2S)-2-amino-N,6-dimethylheptanamide?
The canonical SMILES for (2S)-2-amino-N,6-dimethylheptanamide is CNC(=O)[C@@H](N)CCCC(C)C.
What is the InChIKey of (2S)-2-amino-N,6-dimethylheptanamide?
The InChIKey is MBFBOCDMFNXGMQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)5-4-6-8(10)9(12)11-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N,6-dimethylheptanamide?
(2S)-2-amino-N,6-dimethylheptanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 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,6-dimethylheptanamide is sourced from PubChem (CID 166554166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).