3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine

C10H18N2 — CID 55267776

IUPAC3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine
SMILESCc1cc(CCCN)c(C)n1C
InChIInChI=1S/C10H18N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h7H,4-6,11H2,1-3H3
InChIKeyRXTUGOCSYFTTIS-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.53
Rot. Bonds3

About 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine

3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine (PubChem CID 55267776) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine
PubChem CID55267776
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine
SMILESCc1cc(CCCN)c(C)n1C
InChIInChI=1S/C10H18N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h7H,4-6,11H2,1-3H3
InChIKeyRXTUGOCSYFTTIS-UHFFFAOYSA-N
XLogP1.53
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-Trimethylpyrrole
CID 70260
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
1H-Pyrrole, 2,3,5-trimethyl-
CID 16620
N-methyl,N-(benzyl),N-(pyrrol-2-ylmethyl)amine
CID 11805737
benzyl(methyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11806071
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1,5-dimethyl-1H-pyrrol-2-yl)methanamine
CID 737232
methyl(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110293
methyl(3-phenylpropyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110294
Benzyl-methyl-[1-(1H-pyrrol-2-yl)-vinyl]-amine
CID 44384137
2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 666453
2,5-Dimethyl-1-phenethyl-1H-pyrrole
CID 2442134

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine?
The IUPAC name of 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine (CID 55267776) is 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine is Cc1cc(CCCN)c(C)n1C.
What is the InChIKey of 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine?
The InChIKey is RXTUGOCSYFTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h7H,4-6,11H2,1-3H3.
What are the key properties of 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine?
3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 55267776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).