N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine

C14H30N2 — CID 141360675

IUPACN'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine
SMILESCCC1CCC(NCCCC(C)CCN)C1
InChIInChI=1S/C14H30N2/c1-3-13-6-7-14(11-13)16-10-4-5-12(2)8-9-15/h12-14,16H,3-11,15H2,1-2H3
InChIKeyMHTXVIDXWHSPOO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds8

About N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine

N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine (PubChem CID 141360675) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine
PubChem CID141360675
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine
SMILESCCC1CCC(NCCCC(C)CCN)C1
InChIInChI=1S/C14H30N2/c1-3-13-6-7-14(11-13)16-10-4-5-12(2)8-9-15/h12-14,16H,3-11,15H2,1-2H3
InChIKeyMHTXVIDXWHSPOO-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
3-ethyl-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
CID 64501869
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N'-cyclobutyl-2-methylpentane-1,5-diamine
CID 82682689
3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
CID 64500716
3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
CID 64502067
N-(3-ethenoxypropyl)-3-ethylcyclopentan-1-amine
CID 64501667
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
N-(3-methyloctyl)cyclopropanamine
CID 81018953
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine?
The IUPAC name of N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine (CID 141360675) is N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine.
What is the SMILES notation for N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine?
The canonical SMILES for N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine is CCC1CCC(NCCCC(C)CCN)C1.
What is the InChIKey of N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine?
The InChIKey is MHTXVIDXWHSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-13-6-7-14(11-13)16-10-4-5-12(2)8-9-15/h12-14,16H,3-11,15H2,1-2H3.
What are the key properties of N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine?
N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine is sourced from PubChem (CID 141360675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).