N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine

C11H20N2 — CID 66404275

IUPACN-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
SMILESCNCc1ccn(CCC(C)C)c1
InChIInChI=1S/C11H20N2/c1-10(2)4-6-13-7-5-11(9-13)8-12-3/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyLBLHTGVWEDFBLR-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine

N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine (PubChem CID 66404275) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
PubChem CID66404275
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
SMILESCNCc1ccn(CCC(C)C)c1
InChIInChI=1S/C11H20N2/c1-10(2)4-6-13-7-5-11(9-13)8-12-3/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyLBLHTGVWEDFBLR-UHFFFAOYSA-N
XLogP2.25
TPSA16.96 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine (CID 66404275) is N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine is CNCc1ccn(CCC(C)C)c1.
What is the InChIKey of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
The InChIKey is LBLHTGVWEDFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)4-6-13-7-5-11(9-13)8-12-3/h5,7,9-10,12H,4,6,8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 66404275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).