3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine

C14H28N2 — CID 79461789

IUPAC3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
SMILESCCC1CCC(CNC2CCC(N)C2)CC1
InChIInChI=1S/C14H28N2/c1-2-11-3-5-12(6-4-11)10-16-14-8-7-13(15)9-14/h11-14,16H,2-10,15H2,1H3
InChIKeyHITORJLTXYVYGQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.67
Rot. Bonds4

About 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine

3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine (PubChem CID 79461789) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
PubChem CID79461789
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
SMILESCCC1CCC(CNC2CCC(N)C2)CC1
InChIInChI=1S/C14H28N2/c1-2-11-3-5-12(6-4-11)10-16-14-8-7-13(15)9-14/h11-14,16H,2-10,15H2,1H3
InChIKeyHITORJLTXYVYGQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine (CID 79461789) is 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine is CCC1CCC(CNC2CCC(N)C2)CC1.
What is the InChIKey of 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine?
The InChIKey is HITORJLTXYVYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-11-3-5-12(6-4-11)10-16-14-8-7-13(15)9-14/h11-14,16H,2-10,15H2,1H3.
What are the key properties of 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine?
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).