1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine

C16H26N4 — CID 116513637

IUPAC1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
SMILESCCC(N/C(=N/C1CCCCC1)NN)c1ccccc1
InChIInChI=1S/C16H26N4/c1-2-15(13-9-5-3-6-10-13)19-16(20-17)18-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12,17H2,1H3,(H2,18,19,20)
InChIKeyTZUAPCYVIIUNKF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.88
Rot. Bonds4

About 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine

1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine (PubChem CID 116513637) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
PubChem CID116513637
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
SMILESCCC(N/C(=N/C1CCCCC1)NN)c1ccccc1
InChIInChI=1S/C16H26N4/c1-2-15(13-9-5-3-6-10-13)19-16(20-17)18-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12,17H2,1H3,(H2,18,19,20)
InChIKeyTZUAPCYVIIUNKF-UHFFFAOYSA-N
XLogP2.88
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.88
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-cyclopropyl-3-(1-phenylpropyl)guanidine
CID 116513642
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine
CID 116514408
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
2-(cyclohexylamino)-N-(1-phenylpropyl)acetamide
CID 54816670
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
2-methyl-1-[(1S)-1-phenylpropyl]guanidine
CID 131145311
2-cycloheptyl-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine;hydroiodide
CID 110027122

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine (CID 116513637) is 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine is CCC(N/C(=N/C1CCCCC1)NN)c1ccccc1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine?
The InChIKey is TZUAPCYVIIUNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-15(13-9-5-3-6-10-13)19-16(20-17)18-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine?
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine has a molecular weight of 274.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine is sourced from PubChem (CID 116513637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).