1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine

C18H27N3 — CID 75532682

IUPAC1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(\NCC1(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C18H27N3/c1-19-17(21-16-10-6-3-7-11-16)20-14-18(12-13-18)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H2,19,20,21)
InChIKeyPOUHCJGSUIQJBE-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.22
Rot. Bonds4

About 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine

1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine (PubChem CID 75532682) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
PubChem CID75532682
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(\NCC1(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C18H27N3/c1-19-17(21-16-10-6-3-7-11-16)20-14-18(12-13-18)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H2,19,20,21)
InChIKeyPOUHCJGSUIQJBE-UHFFFAOYSA-N
XLogP3.22
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.22
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-cyclopentyl-2-methyl-3-[(4-phenyloxan-4-yl)methyl]guanidine;hydroiodide
CID 110992196
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-cyclopentyl-2-methylguanidine
CID 111771280
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317989
2-methyl-1-[(1-phenylcyclopentyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318989
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 111141182
1-cyclopropyl-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine;hydroiodide
CID 110934408
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 109437595
1-cyclohexyl-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 110957179
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636
1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 110967064
N-[2-[[N'-methyl-N-[(1-phenylcyclopentyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111852426

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine (CID 75532682) is 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine is C/N=C(\NCC1(c2ccccc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
The InChIKey is POUHCJGSUIQJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-19-17(21-16-10-6-3-7-11-16)20-14-18(12-13-18)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine has a molecular weight of 285.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 75532682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).