N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine

C9H12N2 — CID 10464479

IUPACN-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc[nH]1
InChIInChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
InChIKeyPFQFUSNKIZWHOA-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine

N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine (PubChem CID 10464479) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine
PubChem CID10464479
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc[nH]1
InChIInChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
InChIKeyPFQFUSNKIZWHOA-UHFFFAOYSA-N
XLogP1.08
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine (CID 10464479) is N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine is C#CCN(C)Cc1ccc[nH]1.
What is the InChIKey of N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine?
The InChIKey is PFQFUSNKIZWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3.
What are the key properties of N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine?
N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrrol-2-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 10464479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).