N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine

C9H16N2 — CID 10534864

IUPACN-[(1-methylpyrrol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cccn1C
InChIInChI=1S/C9H16N2/c1-8(2)10-7-9-5-4-6-11(9)3/h4-6,8,10H,7H2,1-3H3
InChIKeyJKVSQMWIMFRPCJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.52
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine

N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 10534864) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID10534864
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cccn1C
InChIInChI=1S/C9H16N2/c1-8(2)10-7-9-5-4-6-11(9)3/h4-6,8,10H,7H2,1-3H3
InChIKeyJKVSQMWIMFRPCJ-UHFFFAOYSA-N
XLogP1.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine (CID 10534864) is N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine is CC(C)NCc1cccn1C.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is JKVSQMWIMFRPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)10-7-9-5-4-6-11(9)3/h4-6,8,10H,7H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine?
N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 10534864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).