2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine

C19H28N2 — CID 114334303

IUPAC2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccn1CCCCc1ccccc1
InChIInChI=1S/C19H28N2/c1-19(2,3)20-16-18-13-9-15-21(18)14-8-7-12-17-10-5-4-6-11-17/h4-6,9-11,13,15,20H,7-8,12,14,16H2,1-3H3
InChIKeyMWVNFGXQIYIDJQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.40
Rot. Bonds7

About 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 114334303) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID114334303
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccn1CCCCc1ccccc1
InChIInChI=1S/C19H28N2/c1-19(2,3)20-16-18-13-9-15-21(18)14-8-7-12-17-10-5-4-6-11-17/h4-6,9-11,13,15,20H,7-8,12,14,16H2,1-3H3
InChIKeyMWVNFGXQIYIDJQ-UHFFFAOYSA-N
XLogP4.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402231
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 103034968
3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 66401250
1-[1-(4-phenylbutyl)pyrrol-2-yl]ethanone
CID 114334265
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine (CID 114334303) is 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1cccn1CCCCc1ccccc1.
What is the InChIKey of 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is MWVNFGXQIYIDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-19(2,3)20-16-18-13-9-15-21(18)14-8-7-12-17-10-5-4-6-11-17/h4-6,9-11,13,15,20H,7-8,12,14,16H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 284.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114334303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).