1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine

C16H26N4 — CID 116515036

IUPAC1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
SMILESCC(Cc1ccccc1)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C16H26N4/c1-13(12-14-8-4-2-5-9-14)18-16(20-17)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12,17H2,1H3,(H2,18,19,20)
InChIKeyXOWNWAPIPVOOEI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.36
Rot. Bonds4

About 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine

1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine (PubChem CID 116515036) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
PubChem CID116515036
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
SMILESCC(Cc1ccccc1)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C16H26N4/c1-13(12-14-8-4-2-5-9-14)18-16(20-17)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12,17H2,1H3,(H2,18,19,20)
InChIKeyXOWNWAPIPVOOEI-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine (CID 116515036) is 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine is CC(Cc1ccccc1)N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine?
The InChIKey is XOWNWAPIPVOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(12-14-8-4-2-5-9-14)18-16(20-17)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine?
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine has a molecular weight of 274.41 g/mol, XLogP of 2.36, 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-phenylpropan-2-yl)guanidine is sourced from PubChem (CID 116515036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).