(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine

C12H27N — CID 158122452

IUPAC(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)C[C@H](C)CCN(C)C(C)C
InChIInChI=1S/C12H27N/c1-10(2)9-12(5)7-8-13(6)11(3)4/h10-12H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyAXWJAEKZLGZUIW-GFCCVEGCSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds6

About (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine

(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine (PubChem CID 158122452) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
PubChem CID158122452
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)C[C@H](C)CCN(C)C(C)C
InChIInChI=1S/C12H27N/c1-10(2)9-12(5)7-8-13(6)11(3)4/h10-12H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyAXWJAEKZLGZUIW-GFCCVEGCSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-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

(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
CID 174299611
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
3-cyclopropyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 177203933
3,5-dimethyl-1-propan-2-yloxyhexane
CID 155609202
N,N,2,4-tetramethylpentan-1-amine
CID 58758115
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
1-bromo-3,5-dimethylhexane
CID 10867183
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine (CID 158122452) is (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine is CC(C)C[C@H](C)CCN(C)C(C)C.
What is the InChIKey of (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is AXWJAEKZLGZUIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)9-12(5)7-8-13(6)11(3)4/h10-12H,7-9H2,1-6H3/t12-/m1/s1.
What are the key properties of (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine?
(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 158122452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).