2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine

C14H27N3 — CID 64750200

IUPAC2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine
SMILESCCC1CCCC(N/C(N)=N/C2CCCC2)C1
InChIInChI=1S/C14H27N3/c1-2-11-6-5-9-13(10-11)17-14(15)16-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H3,15,16,17)
InChIKeyWJRHHJPNRGDTLH-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.80
Rot. Bonds3

About 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine

2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine (PubChem CID 64750200) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine
PubChem CID64750200
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine
SMILESCCC1CCCC(N/C(N)=N/C2CCCC2)C1
InChIInChI=1S/C14H27N3/c1-2-11-6-5-9-13(10-11)17-14(15)16-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H3,15,16,17)
InChIKeyWJRHHJPNRGDTLH-UHFFFAOYSA-N
XLogP2.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-(3-ethylcyclohexyl)guanidine
CID 64748197
1-cyclopentyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 55063922
1-amino-2-ethyl-3-(3-ethylcyclohexyl)guanidine
CID 104886810
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 104886815
N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
CID 64748437
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
CID 64747634
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
CID 79461810

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine (CID 64750200) is 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine is CCC1CCCC(N/C(N)=N/C2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine?
The InChIKey is WJRHHJPNRGDTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-11-6-5-9-13(10-11)17-14(15)16-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H3,15,16,17).
What are the key properties of 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine?
2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine is sourced from PubChem (CID 64750200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).