[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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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).