2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine

C17H27N3 — CID 62369558

IUPAC2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
SMILESCC(CCc1ccccc1)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C17H27N3/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)20-16-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H3,18,19,20)
InChIKeyWQXIYVSVETVGLN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine

2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine (PubChem CID 62369558) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
PubChem CID62369558
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
SMILESCC(CCc1ccccc1)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C17H27N3/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)20-16-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H3,18,19,20)
InChIKeyWQXIYVSVETVGLN-UHFFFAOYSA-N
XLogP3.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.24
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

N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine
CID 134122012
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
2-cyclohexyl-1-phenylguanidine
CID 10900077
N-[2-[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111172740
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine (CID 62369558) is 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine is CC(CCc1ccccc1)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine?
The InChIKey is WQXIYVSVETVGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)20-16-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H3,18,19,20).
What are the key properties of 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine?
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine has a molecular weight of 273.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 62369558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).