2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine

C18H28N4 — CID 134090961

IUPAC2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine
SMILESNCC1CCCC(C/N=C(\Nc2ccccc2)NC2CC2)C1
InChIInChI=1S/C18H28N4/c19-12-14-5-4-6-15(11-14)13-20-18(22-17-9-10-17)21-16-7-2-1-3-8-16/h1-3,7-8,14-15,17H,4-6,9-13,19H2,(H2,20,21,22)
InChIKeyLNFYGNQFOITQMM-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.97
Rot. Bonds5

About 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine

2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine (PubChem CID 134090961) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine.

Molecular Properties

Compound Name2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine
PubChem CID134090961
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine
SMILESNCC1CCCC(C/N=C(\Nc2ccccc2)NC2CC2)C1
InChIInChI=1S/C18H28N4/c19-12-14-5-4-6-15(11-14)13-20-18(22-17-9-10-17)21-16-7-2-1-3-8-16/h1-3,7-8,14-15,17H,4-6,9-13,19H2,(H2,20,21,22)
InChIKeyLNFYGNQFOITQMM-UHFFFAOYSA-N
XLogP2.97
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.97
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'}

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Related Compounds

2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine
CID 134090951
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134091938
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)-3-phenylguanidine
CID 134090959
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-[2-(4-hydroxyphenyl)ethyl]-3-phenylguanidine
CID 134090960
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
CID 134111402
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-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
N'-[[3-(aminomethyl)cyclohexyl]methyl]-N-(3-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 134091967
1-amino-3-phenyl-2-(thian-2-ylmethyl)guanidine
CID 116515930

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine?
The IUPAC name of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine (CID 134090961) is 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine.
What is the SMILES notation for 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine?
The canonical SMILES for 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine is NCC1CCCC(C/N=C(\Nc2ccccc2)NC2CC2)C1.
What is the InChIKey of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine?
The InChIKey is LNFYGNQFOITQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c19-12-14-5-4-6-15(11-14)13-20-18(22-17-9-10-17)21-16-7-2-1-3-8-16/h1-3,7-8,14-15,17H,4-6,9-13,19H2,(H2,20,21,22).
What are the key properties of 2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine?
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine has a molecular weight of 300.45 g/mol, XLogP of 2.97, 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-cyclopropyl-3-phenylguanidine is sourced from PubChem (CID 134090961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).