2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine

C18H30N4 — CID 134090951

IUPAC2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CC1CCCC(CN)C1)Nc1ccccc1
InChIInChI=1S/C18H30N4/c1-14(2)21-18(22-17-9-4-3-5-10-17)20-13-16-8-6-7-15(11-16)12-19/h3-5,9-10,14-16H,6-8,11-13,19H2,1-2H3,(H2,20,21,22)
InChIKeyKPSKNKKYJOEWAZ-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.22
Rot. Bonds5

About 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine

2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine (PubChem CID 134090951) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine
PubChem CID134090951
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CC1CCCC(CN)C1)Nc1ccccc1
InChIInChI=1S/C18H30N4/c1-14(2)21-18(22-17-9-4-3-5-10-17)20-13-16-8-6-7-15(11-16)12-19/h3-5,9-10,14-16H,6-8,11-13,19H2,1-2H3,(H2,20,21,22)
InChIKeyKPSKNKKYJOEWAZ-UHFFFAOYSA-N
XLogP3.22
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine 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

2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine
CID 134090961
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-[2-(4-hydroxyphenyl)ethyl]-3-phenylguanidine
CID 134090960
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)-3-phenylguanidine
CID 134090959
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134091938
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)guanidine
CID 134088892
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
CID 100967764
N-(3-acetylphenyl)-N'-[[3-(aminomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 134091845
1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
CID 116515233

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine?
The IUPAC name of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine (CID 134090951) is 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine.
What is the SMILES notation for 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine?
The canonical SMILES for 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine is CC(C)N/C(=N\CC1CCCC(CN)C1)Nc1ccccc1.
What is the InChIKey of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine?
The InChIKey is KPSKNKKYJOEWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-14(2)21-18(22-17-9-4-3-5-10-17)20-13-16-8-6-7-15(11-16)12-19/h3-5,9-10,14-16H,6-8,11-13,19H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine?
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine has a molecular weight of 302.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine is sourced from PubChem (CID 134090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).