1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine

C13H28N4 — CID 104886815

IUPAC1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
SMILESCCC1CCCC(N/C(=N/CC(C)C)NN)C1
InChIInChI=1S/C13H28N4/c1-4-11-6-5-7-12(8-11)16-13(17-14)15-9-10(2)3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17)
InChIKeyVUTLLYSLKCPGMB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine

1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine (PubChem CID 104886815) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
PubChem CID104886815
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
SMILESCCC1CCCC(N/C(=N/CC(C)C)NN)C1
InChIInChI=1S/C13H28N4/c1-4-11-6-5-7-12(8-11)16-13(17-14)15-9-10(2)3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17)
InChIKeyVUTLLYSLKCPGMB-UHFFFAOYSA-N
XLogP2.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-ethyl-3-(3-ethylcyclohexyl)guanidine
CID 104886810
1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine
CID 104887813
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine
CID 64750200
1-amino-3-cyclopropyl-2-(2-ethoxypropyl)guanidine
CID 104888647
1-ethyl-3-(3-ethylcyclohexyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995647
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 62362453
1-ethyl-2-(2-methylpropyl)-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111529897
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
2-[[ethylamino-[(3-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041706
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine (CID 104886815) is 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine is CCC1CCCC(N/C(=N/CC(C)C)NN)C1.
What is the InChIKey of 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
The InChIKey is VUTLLYSLKCPGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-11-6-5-7-12(8-11)16-13(17-14)15-9-10(2)3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine?
1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104886815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).