N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine

C15H20N2 — CID 113342039

IUPACN-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
SMILESCC#CCNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H20N2/c1-2-3-10-16-13-14-8-4-5-9-15(14)17-11-6-7-12-17/h4-5,8-9,16H,6-7,10-13H2,1H3
InChIKeyZUULMBNWKOUIEY-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.40
Rot. Bonds4

About N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine

N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine (PubChem CID 113342039) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
PubChem CID113342039
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
SMILESCC#CCNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H20N2/c1-2-3-10-16-13-14-8-4-5-9-15(14)17-11-6-7-12-17/h4-5,8-9,16H,6-7,10-13H2,1H3
InChIKeyZUULMBNWKOUIEY-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.40
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

N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
2,2-dimethyl-3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanenitrile
CID 104587166
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 103884536
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 129255508
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine?
The IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine (CID 113342039) is N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine is CC#CCNCc1ccccc1N1CCCC1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine?
The InChIKey is ZUULMBNWKOUIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-3-10-16-13-14-8-4-5-9-15(14)17-11-6-7-12-17/h4-5,8-9,16H,6-7,10-13H2,1H3.
What are the key properties of N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine?
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine is sourced from PubChem (CID 113342039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).