1-cyclopentyl-3,5,5-trimethylhexan-1-amine

C14H29N — CID 115778345

IUPAC1-cyclopentyl-3,5,5-trimethylhexan-1-amine
SMILESCC(CC(N)C1CCCC1)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12/h11-13H,5-10,15H2,1-4H3
InChIKeyRUGHDXRHAVGEQV-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds4

About 1-cyclopentyl-3,5,5-trimethylhexan-1-amine

1-cyclopentyl-3,5,5-trimethylhexan-1-amine (PubChem CID 115778345) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-cyclopentyl-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-3,5,5-trimethylhexan-1-amine
PubChem CID115778345
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-cyclopentyl-3,5,5-trimethylhexan-1-amine
SMILESCC(CC(N)C1CCCC1)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12/h11-13H,5-10,15H2,1-4H3
InChIKeyRUGHDXRHAVGEQV-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
(1-cyclohexyl-3,5,5-trimethylhexyl)hydrazine
CID 105282017
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824
(1-cyclohexyl-5,7,7-trimethyloctan-3-yl)hydrazine
CID 114193441
1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine
CID 115863733
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
N-(3,5,5-trimethylhexyl)cyclopentanamine
CID 60984290

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-cyclopentyl-3,5,5-trimethylhexan-1-amine (CID 115778345) is 1-cyclopentyl-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-cyclopentyl-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-cyclopentyl-3,5,5-trimethylhexan-1-amine is CC(CC(N)C1CCCC1)CC(C)(C)C.
What is the InChIKey of 1-cyclopentyl-3,5,5-trimethylhexan-1-amine?
The InChIKey is RUGHDXRHAVGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 1-cyclopentyl-3,5,5-trimethylhexan-1-amine?
1-cyclopentyl-3,5,5-trimethylhexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 115778345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).