2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine

C9H16N2 — CID 116924952

IUPAC2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
SMILESCC(CN)CCc1ccc[nH]1
InChIInChI=1S/C9H16N2/c1-8(7-10)4-5-9-3-2-6-11-9/h2-3,6,8,11H,4-5,7,10H2,1H3
InChIKeySGVXVCFDUOGJIN-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine

2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine (PubChem CID 116924952) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
PubChem CID116924952
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
SMILESCC(CN)CCc1ccc[nH]1
InChIInChI=1S/C9H16N2/c1-8(7-10)4-5-9-3-2-6-11-9/h2-3,6,8,11H,4-5,7,10H2,1H3
InChIKeySGVXVCFDUOGJIN-UHFFFAOYSA-N
XLogP1.54
TPSA41.81 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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
methane;1H-pyrrol-2-ylmethanamine
CID 162272370
4-(2-bromophenyl)-2-methylbutan-1-amine
CID 64664319
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
CID 115138127
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
CID 161383417
CID 161383417
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231
2-henicosyl-1H-pyrrole
CID 173176320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine (CID 116924952) is 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine is CC(CN)CCc1ccc[nH]1.
What is the InChIKey of 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine?
The InChIKey is SGVXVCFDUOGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(7-10)4-5-9-3-2-6-11-9/h2-3,6,8,11H,4-5,7,10H2,1H3.
What are the key properties of 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine?
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine is sourced from PubChem (CID 116924952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).