[1-(4-methylpentyl)pyrrol-2-yl]methanamine

C11H20N2 — CID 83158614

IUPAC[1-(4-methylpentyl)pyrrol-2-yl]methanamine
SMILESCC(C)CCCn1cccc1CN
InChIInChI=1S/C11H20N2/c1-10(2)5-3-7-13-8-4-6-11(13)9-12/h4,6,8,10H,3,5,7,9,12H2,1-2H3
InChIKeyBBLKQMDFGHESSY-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.38
Rot. Bonds5

About [1-(4-methylpentyl)pyrrol-2-yl]methanamine

[1-(4-methylpentyl)pyrrol-2-yl]methanamine (PubChem CID 83158614) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is [1-(4-methylpentyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylpentyl)pyrrol-2-yl]methanamine
PubChem CID83158614
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name[1-(4-methylpentyl)pyrrol-2-yl]methanamine
SMILESCC(C)CCCn1cccc1CN
InChIInChI=1S/C11H20N2/c1-10(2)5-3-7-13-8-4-6-11(13)9-12/h4,6,8,10H,3,5,7,9,12H2,1-2H3
InChIKeyBBLKQMDFGHESSY-UHFFFAOYSA-N
XLogP2.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol
CID 66407517
1-[1-(4-methylpentyl)pyrrol-2-yl]ethanone
CID 83157804
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
[1-(2-phenylethyl)pyrrol-2-yl]methanamine
CID 66408175
1-(4-methylpentyl)indol-4-amine
CID 83157136
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine
CID 112591068
[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine
CID 82503014
1-(5-methylhexyl)pyrrole-2-carbaldehyde
CID 115326772
3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
CID 82186492
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
[1-[4-(oxan-4-yl)butyl]pyrrol-2-yl]methanamine
CID 114191654
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpentyl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-(4-methylpentyl)pyrrol-2-yl]methanamine (CID 83158614) is [1-(4-methylpentyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-(4-methylpentyl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-(4-methylpentyl)pyrrol-2-yl]methanamine is CC(C)CCCn1cccc1CN.
What is the InChIKey of [1-(4-methylpentyl)pyrrol-2-yl]methanamine?
The InChIKey is BBLKQMDFGHESSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)5-3-7-13-8-4-6-11(13)9-12/h4,6,8,10H,3,5,7,9,12H2,1-2H3.
What are the key properties of [1-(4-methylpentyl)pyrrol-2-yl]methanamine?
[1-(4-methylpentyl)pyrrol-2-yl]methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpentyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 83158614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).