1-cyclohexyl-3,4,4-trimethylpentan-1-amine

C14H29N — CID 114981190

IUPAC1-cyclohexyl-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-11(14(2,3)4)10-13(15)12-8-6-5-7-9-12/h11-13H,5-10,15H2,1-4H3
InChIKeyAJQSYLZIKNJABH-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds3

About 1-cyclohexyl-3,4,4-trimethylpentan-1-amine

1-cyclohexyl-3,4,4-trimethylpentan-1-amine (PubChem CID 114981190) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-cyclohexyl-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3,4,4-trimethylpentan-1-amine
PubChem CID114981190
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-cyclohexyl-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-11(14(2,3)4)10-13(15)12-8-6-5-7-9-12/h11-13H,5-10,15H2,1-4H3
InChIKeyAJQSYLZIKNJABH-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3,4,4-trimethylpentan-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

(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
3,5,6,6-tetramethylheptan-2-ylcyclobutane
CID 123690991
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
(1-cyclohexyl-4,5,5-trimethylhexan-2-yl)hydrazine
CID 105296296
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
CID 85238914

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-cyclohexyl-3,4,4-trimethylpentan-1-amine (CID 114981190) is 1-cyclohexyl-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-cyclohexyl-3,4,4-trimethylpentan-1-amine is CC(CC(N)C1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclohexyl-3,4,4-trimethylpentan-1-amine?
The InChIKey is AJQSYLZIKNJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(14(2,3)4)10-13(15)12-8-6-5-7-9-12/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 1-cyclohexyl-3,4,4-trimethylpentan-1-amine?
1-cyclohexyl-3,4,4-trimethylpentan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 114981190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).