trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine

C13H27N — CID 96732201

IUPACtrans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)NC1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C13H27N/c1-5-12(6-2)14-13-8-10(3)7-11(4)9-13/h10-14H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyKCGFMIUIERSZND-QWRGUYRKSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

About trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine

trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine (PubChem CID 96732201) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
PubChem CID96732201
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nametrans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)NC1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C13H27N/c1-5-12(6-2)14-13-8-10(3)7-11(4)9-13/h10-14H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyKCGFMIUIERSZND-QWRGUYRKSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260
N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine
CID 115755990
2-[(3,5-dimethylcyclohexyl)amino]-N-pentan-3-ylacetamide
CID 64734046
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
(2S)-2-[[(1S,5R)-3,3,5-trimethylcyclohexyl]amino]butan-1-ol
CID 92985928
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64732839
1-N-hexan-3-ylcyclobutane-1,3-diamine
CID 80562320

Frequently Asked Questions

What is the IUPAC name of trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The IUPAC name of trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine (CID 96732201) is trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The canonical SMILES for trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine is CCC(CC)NC1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The InChIKey is KCGFMIUIERSZND-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H27N/c1-5-12(6-2)14-13-8-10(3)7-11(4)9-13/h10-14H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine is sourced from PubChem (CID 96732201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).