N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine

C16H22N2 — CID 79090233

IUPACN-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
SMILESCC(CC(C)(C)c1ccccc1)Nn1cccc1
InChIInChI=1S/C16H22N2/c1-14(17-18-11-7-8-12-18)13-16(2,3)15-9-5-4-6-10-15/h4-12,14,17H,13H2,1-3H3
InChIKeyQYAOAIWBLCFBAM-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds5

About N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine

N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine (PubChem CID 79090233) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
PubChem CID79090233
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
SMILESCC(CC(C)(C)c1ccccc1)Nn1cccc1
InChIInChI=1S/C16H22N2/c1-14(17-18-11-7-8-12-18)13-16(2,3)15-9-5-4-6-10-15/h4-12,14,17H,13H2,1-3H3
InChIKeyQYAOAIWBLCFBAM-UHFFFAOYSA-N
XLogP3.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine
CID 60809957
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
1-(4-methylphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713378
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 82744754

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine (CID 79090233) is N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine is CC(CC(C)(C)c1ccccc1)Nn1cccc1.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine?
The InChIKey is QYAOAIWBLCFBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-14(17-18-11-7-8-12-18)13-16(2,3)15-9-5-4-6-10-15/h4-12,14,17H,13H2,1-3H3.
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine?
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine is sourced from PubChem (CID 79090233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).