4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine

C11H20N2 — CID 66400386

IUPAC4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine
SMILESCC(C)CC(N)Cc1ccn(C)c1
InChIInChI=1S/C11H20N2/c1-9(2)6-11(12)7-10-4-5-13(3)8-10/h4-5,8-9,11H,6-7,12H2,1-3H3
InChIKeyOHWQGXMCWLGQKM-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.94
Rot. Bonds4

About 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine

4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine (PubChem CID 66400386) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine
PubChem CID66400386
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine
SMILESCC(C)CC(N)Cc1ccn(C)c1
InChIInChI=1S/C11H20N2/c1-9(2)6-11(12)7-10-4-5-13(3)8-10/h4-5,8-9,11H,6-7,12H2,1-3H3
InChIKeyOHWQGXMCWLGQKM-UHFFFAOYSA-N
XLogP1.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine (CID 66400386) is 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine is CC(C)CC(N)Cc1ccn(C)c1.
What is the InChIKey of 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine?
The InChIKey is OHWQGXMCWLGQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)6-11(12)7-10-4-5-13(3)8-10/h4-5,8-9,11H,6-7,12H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine?
4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine has a molecular weight of 180.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine is sourced from PubChem (CID 66400386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).