3-(2-ethylcyclohexyl)pentan-3-amine

C13H27N — CID 63861274

IUPAC3-(2-ethylcyclohexyl)pentan-3-amine
SMILESCCC1CCCCC1C(N)(CC)CC
InChIInChI=1S/C13H27N/c1-4-11-9-7-8-10-12(11)13(14,5-2)6-3/h11-12H,4-10,14H2,1-3H3
InChIKeyWTJQAFDAIUURLD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds4

About 3-(2-ethylcyclohexyl)pentan-3-amine

3-(2-ethylcyclohexyl)pentan-3-amine (PubChem CID 63861274) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)pentan-3-amine
PubChem CID63861274
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(2-ethylcyclohexyl)pentan-3-amine
SMILESCCC1CCCCC1C(N)(CC)CC
InChIInChI=1S/C13H27N/c1-4-11-9-7-8-10-12(11)13(14,5-2)6-3/h11-12H,4-10,14H2,1-3H3
InChIKeyWTJQAFDAIUURLD-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)pentan-3-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)pentan-3-amine (CID 63861274) is 3-(2-ethylcyclohexyl)pentan-3-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)pentan-3-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)pentan-3-amine is CCC1CCCCC1C(N)(CC)CC.
What is the InChIKey of 3-(2-ethylcyclohexyl)pentan-3-amine?
The InChIKey is WTJQAFDAIUURLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11-9-7-8-10-12(11)13(14,5-2)6-3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-(2-ethylcyclohexyl)pentan-3-amine?
3-(2-ethylcyclohexyl)pentan-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)pentan-3-amine is sourced from PubChem (CID 63861274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).