N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine

C13H25N3 — CID 79503131

IUPACN'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
SMILESCN(CCNC1=NCCCC1)C1CCCC1
InChIInChI=1S/C13H25N3/c1-16(12-6-2-3-7-12)11-10-15-13-8-4-5-9-14-13/h12H,2-11H2,1H3,(H,14,15)
InChIKeyQGMHGGLCLJCSEG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.03
Rot. Bonds4

About N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine (PubChem CID 79503131) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
PubChem CID79503131
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
SMILESCN(CCNC1=NCCCC1)C1CCCC1
InChIInChI=1S/C13H25N3/c1-16(12-6-2-3-7-12)11-10-15-13-8-4-5-9-14-13/h12H,2-11H2,1H3,(H,14,15)
InChIKeyQGMHGGLCLJCSEG-UHFFFAOYSA-N
XLogP2.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine (CID 79503131) is N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine is CN(CCNC1=NCCCC1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The InChIKey is QGMHGGLCLJCSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-16(12-6-2-3-7-12)11-10-15-13-8-4-5-9-14-13/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine has a molecular weight of 223.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 79503131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).