(2R,7S)-5,5,7-trimethylnonan-2-amine

C12H27N — CID 138642965

IUPAC(2R,7S)-5,5,7-trimethylnonan-2-amine
SMILESCC[C@H](C)CC(C)(C)CC[C@@H](C)N
InChIInChI=1S/C12H27N/c1-6-10(2)9-12(4,5)8-7-11(3)13/h10-11H,6-9,13H2,1-5H3/t10-,11+/m0/s1
InChIKeyUICFNRXIMVAIKT-WDEREUQCSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds6

About (2R,7S)-5,5,7-trimethylnonan-2-amine

(2R,7S)-5,5,7-trimethylnonan-2-amine (PubChem CID 138642965) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2R,7S)-5,5,7-trimethylnonan-2-amine.

Molecular Properties

Compound Name(2R,7S)-5,5,7-trimethylnonan-2-amine
PubChem CID138642965
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2R,7S)-5,5,7-trimethylnonan-2-amine
SMILESCC[C@H](C)CC(C)(C)CC[C@@H](C)N
InChIInChI=1S/C12H27N/c1-6-10(2)9-12(4,5)8-7-11(3)13/h10-11H,6-9,13H2,1-5H3/t10-,11+/m0/s1
InChIKeyUICFNRXIMVAIKT-WDEREUQCSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,7S)-5,5,7-trimethylnonan-2-amine 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

3,5,5,8-tetramethyldecane
CID 57491683
3,6,6,8-tetramethylundecane
CID 90718379
2,2,6,6,8-pentamethyldecane
CID 123898761
ethane;5,5,7,7-tetramethyloctan-2-amine
CID 144514577
2,2,4-trimethylhexan-1-ol
CID 14747424
5-methylheptan-2-amine;hydrochloride
CID 127255592
4,4,6-trimethyloctan-2-ol
CID 64717881
(2R)-5,5-difluorohexan-2-amine
CID 156690161
6-ethylsulfonyl-4,4-dimethylhexan-2-amine
CID 106732358
(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol
CID 89051093
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,9,11-trimethyltridecane
CID 140594680
azane;2,2,4-trimethylhexane
CID 87634842

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-5,5,7-trimethylnonan-2-amine?
The IUPAC name of (2R,7S)-5,5,7-trimethylnonan-2-amine (CID 138642965) is (2R,7S)-5,5,7-trimethylnonan-2-amine.
What is the SMILES notation for (2R,7S)-5,5,7-trimethylnonan-2-amine?
The canonical SMILES for (2R,7S)-5,5,7-trimethylnonan-2-amine is CC[C@H](C)CC(C)(C)CC[C@@H](C)N.
What is the InChIKey of (2R,7S)-5,5,7-trimethylnonan-2-amine?
The InChIKey is UICFNRXIMVAIKT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H27N/c1-6-10(2)9-12(4,5)8-7-11(3)13/h10-11H,6-9,13H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (2R,7S)-5,5,7-trimethylnonan-2-amine?
(2R,7S)-5,5,7-trimethylnonan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-5,5,7-trimethylnonan-2-amine is sourced from PubChem (CID 138642965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).