N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine

C9H16N2 — CID 116964699

IUPACN-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
SMILESCCC(CNC)c1cc[nH]c1
InChIInChI=1S/C9H16N2/c1-3-8(6-10-2)9-4-5-11-7-9/h4-5,7-8,10-11H,3,6H2,1-2H3
InChIKeyMOAAEVXKLKTYNI-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine

N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine (PubChem CID 116964699) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
PubChem CID116964699
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
SMILESCCC(CNC)c1cc[nH]c1
InChIInChI=1S/C9H16N2/c1-3-8(6-10-2)9-4-5-11-7-9/h4-5,7-8,10-11H,3,6H2,1-2H3
InChIKeyMOAAEVXKLKTYNI-UHFFFAOYSA-N
XLogP1.73
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116896599
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
2-(1H-pyrrol-3-yl)butanenitrile
CID 116834273
2-[methylamino(1H-pyrrol-3-yl)methyl]butanoic acid
CID 116959709
N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 116931194
2-[3-(1,1-difluoroethyl)phenyl]-N-methylbutan-1-amine
CID 116992501
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
3-methyl-1H-pyrrole;propane
CID 91500199

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine (CID 116964699) is N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine is CCC(CNC)c1cc[nH]c1.
What is the InChIKey of N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine?
The InChIKey is MOAAEVXKLKTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8(6-10-2)9-4-5-11-7-9/h4-5,7-8,10-11H,3,6H2,1-2H3.
What are the key properties of N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine?
N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine is sourced from PubChem (CID 116964699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).