N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine

C9H14N2 — CID 66399137

IUPACN-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccn(C)c1
InChIInChI=1S/C9H14N2/c1-3-5-10-7-9-4-6-11(2)8-9/h3-4,6,8,10H,1,5,7H2,2H3
InChIKeyAJYNWISURRTYPF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.30
Rot. Bonds4

About N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine

N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 66399137) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
PubChem CID66399137
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccn(C)c1
InChIInChI=1S/C9H14N2/c1-3-5-10-7-9-4-6-11(2)8-9/h3-4,6,8,10H,1,5,7H2,2H3
InChIKeyAJYNWISURRTYPF-UHFFFAOYSA-N
XLogP1.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115867925
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 66397506
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 102610013
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine (CID 66399137) is N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine is C=CCNCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is AJYNWISURRTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-10-7-9-4-6-11(2)8-9/h3-4,6,8,10H,1,5,7H2,2H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine?
N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 66399137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).