2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine

C13H26N2 — CID 43541047

IUPAC2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
SMILESCCN(C1CCCC1)C1CCCCC1N
InChIInChI=1S/C13H26N2/c1-2-15(11-7-3-4-8-11)13-10-6-5-9-12(13)14/h11-13H,2-10,14H2,1H3
InChIKeyPJSFKUUYPMTTMJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.52
Rot. Bonds3

About 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine

2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine (PubChem CID 43541047) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
PubChem CID43541047
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
SMILESCCN(C1CCCC1)C1CCCCC1N
InChIInChI=1S/C13H26N2/c1-2-15(11-7-3-4-8-11)13-10-6-5-9-12(13)14/h11-13H,2-10,14H2,1H3
InChIKeyPJSFKUUYPMTTMJ-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine (CID 43541047) is 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine is CCN(C1CCCC1)C1CCCCC1N.
What is the InChIKey of 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine?
The InChIKey is PJSFKUUYPMTTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-15(11-7-3-4-8-11)13-10-6-5-9-12(13)14/h11-13H,2-10,14H2,1H3.
What are the key properties of 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine?
2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine is sourced from PubChem (CID 43541047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).