N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine

C19H28N2 — CID 43371760

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine
SMILESCc1cc(CNC(C)CC(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C19H28N2/c1-14(2)11-15(3)20-13-18-12-16(4)21(17(18)5)19-9-7-6-8-10-19/h6-10,12,14-15,20H,11,13H2,1-5H3
InChIKeyBJMQWOLMOHQLMY-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.62
Rot. Bonds6

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine (PubChem CID 43371760) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine
PubChem CID43371760
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine
SMILESCc1cc(CNC(C)CC(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C19H28N2/c1-14(2)11-15(3)20-13-18-12-16(4)21(17(18)5)19-9-7-6-8-10-19/h6-10,12,14-15,20H,11,13H2,1-5H3
InChIKeyBJMQWOLMOHQLMY-UHFFFAOYSA-N
XLogP4.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methoxybutan-2-amine
CID 64600295
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
CID 43090175
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
CID 43154800
3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanamide
CID 43553150
4-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]butanamide
CID 60865560
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]methanamine
CID 46946071
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
CID 43090159
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64550358
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 43214585
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62636061
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43235432

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine (CID 43371760) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine is Cc1cc(CNC(C)CC(C)C)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine?
The InChIKey is BJMQWOLMOHQLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(2)11-15(3)20-13-18-12-16(4)21(17(18)5)19-9-7-6-8-10-19/h6-10,12,14-15,20H,11,13H2,1-5H3.
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine has a molecular weight of 284.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43371760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).