N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine

C10H14N2 — CID 66397506

IUPACN-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
SMILESC#CCCNCc1ccn(C)c1
InChIInChI=1S/C10H14N2/c1-3-4-6-11-8-10-5-7-12(2)9-10/h1,5,7,9,11H,4,6,8H2,2H3
InChIKeyOWXWWWTWEWGCSZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.14
Rot. Bonds4

About N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine

N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine (PubChem CID 66397506) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
PubChem CID66397506
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
SMILESC#CCCNCc1ccn(C)c1
InChIInChI=1S/C10H14N2/c1-3-4-6-11-8-10-5-7-12(2)9-10/h1,5,7,9,11H,4,6,8H2,2H3
InChIKeyOWXWWWTWEWGCSZ-UHFFFAOYSA-N
XLogP1.14
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
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-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106390836
N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
CID 66399137
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 104624930
2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397924
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine (CID 66397506) is N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine is C#CCCNCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine?
The InChIKey is OWXWWWTWEWGCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-6-11-8-10-5-7-12(2)9-10/h1,5,7,9,11H,4,6,8H2,2H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine?
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine has a molecular weight of 162.24 g/mol, XLogP of 1.14, 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]but-3-yn-1-amine is sourced from PubChem (CID 66397506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).