1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine

C25H35N3 — CID 14977522

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine
SMILESCC(C)c1cccc(C(C)C)c1N/C(N)=N/CC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H35N3/c1-18(2)21-13-10-14-22(19(3)4)23(21)28-24(26)27-17-25(15-8-9-16-25)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H3,26,27,28)
InChIKeyUHWKCLPVYBAKAA-UHFFFAOYSA-N
MW377.58 g/mol
LogP6.17
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine

1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine (PubChem CID 14977522) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine
PubChem CID14977522
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine
SMILESCC(C)c1cccc(C(C)C)c1N/C(N)=N/CC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H35N3/c1-18(2)21-13-10-14-22(19(3)4)23(21)28-24(26)27-17-25(15-8-9-16-25)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H3,26,27,28)
InChIKeyUHWKCLPVYBAKAA-UHFFFAOYSA-N
XLogP6.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 56.17
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'}

Analyze 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine (CID 14977522) is 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine is CC(C)c1cccc(C(C)C)c1N/C(N)=N/CC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine?
The InChIKey is UHWKCLPVYBAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3/c1-18(2)21-13-10-14-22(19(3)4)23(21)28-24(26)27-17-25(15-8-9-16-25)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H3,26,27,28).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine?
1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine has a molecular weight of 377.58 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 14977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).