1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine

C13H27N3 — CID 62362453

IUPAC1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
SMILESCCC1CCC(N/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C13H27N3/c1-4-11-5-7-12(8-6-11)16-13(14)15-9-10(2)3/h10-12H,4-9H2,1-3H3,(H3,14,15,16)
InChIKeyQNUPPFOREJCOFV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine

1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine (PubChem CID 62362453) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
PubChem CID62362453
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
SMILESCCC1CCC(N/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C13H27N3/c1-4-11-5-7-12(8-6-11)16-13(14)15-9-10(2)3/h10-12H,4-9H2,1-3H3,(H3,14,15,16)
InChIKeyQNUPPFOREJCOFV-UHFFFAOYSA-N
XLogP2.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
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-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
ethyl 4-[[N'-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110912111
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573
1-(1,1-dioxothiolan-3-yl)-2-(2-methylpropyl)guanidine
CID 62361732
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
2-(2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111085498
1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110925393
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine (CID 62362453) is 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine is CCC1CCC(N/C(N)=N/CC(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
The InChIKey is QNUPPFOREJCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-11-5-7-12(8-6-11)16-13(14)15-9-10(2)3/h10-12H,4-9H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine has a molecular weight of 225.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62362453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).