3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine

C13H26N2 — CID 79461810

IUPAC3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
SMILESCCC1CCCC(NC2CCC(N)C2)C1
InChIInChI=1S/C13H26N2/c1-2-10-4-3-5-12(8-10)15-13-7-6-11(14)9-13/h10-13,15H,2-9,14H2,1H3
InChIKeyFVNRIESDQAFVMA-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds3

About 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine

3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine (PubChem CID 79461810) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
PubChem CID79461810
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
SMILESCCC1CCCC(NC2CCC(N)C2)C1
InChIInChI=1S/C13H26N2/c1-2-10-4-3-5-12(8-10)15-13-7-6-11(14)9-13/h10-13,15H,2-9,14H2,1H3
InChIKeyFVNRIESDQAFVMA-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine (CID 79461810) is 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine is CCC1CCCC(NC2CCC(N)C2)C1.
What is the InChIKey of 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine?
The InChIKey is FVNRIESDQAFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-10-4-3-5-12(8-10)15-13-7-6-11(14)9-13/h10-13,15H,2-9,14H2,1H3.
What are the key properties of 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine?
3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).