N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine

C19H26N2 — CID 79107738

IUPACN-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H26N2/c1-15-13-14-16(2)21(15)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18-20H,4,7-8,11-12H2,1-2H3
InChIKeyYSUVQPAJTYWTKN-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.97
Rot. Bonds4

About N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine

N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79107738) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79107738
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H26N2/c1-15-13-14-16(2)21(15)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18-20H,4,7-8,11-12H2,1-2H3
InChIKeyYSUVQPAJTYWTKN-UHFFFAOYSA-N
XLogP4.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine (CID 79107738) is N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is YSUVQPAJTYWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-13-14-16(2)21(15)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18-20H,4,7-8,11-12H2,1-2H3.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79107738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).