N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine

C11H20N2 — CID 79099719

IUPACN-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CC(C)C)c1
InChIInChI=1S/C11H20N2/c1-9(2)7-13-6-5-11(8-13)10(3)12-4/h5-6,8-10,12H,7H2,1-4H3
InChIKeySWYPWNCGKYKKHC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.42
Rot. Bonds4

About N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine

N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine (PubChem CID 79099719) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
PubChem CID79099719
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CC(C)C)c1
InChIInChI=1S/C11H20N2/c1-9(2)7-13-6-5-11(8-13)10(3)12-4/h5-6,8-10,12H,7H2,1-4H3
InChIKeySWYPWNCGKYKKHC-UHFFFAOYSA-N
XLogP2.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine (CID 79099719) is N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine is CNC(C)c1ccn(CC(C)C)c1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine?
The InChIKey is SWYPWNCGKYKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)7-13-6-5-11(8-13)10(3)12-4/h5-6,8-10,12H,7H2,1-4H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine?
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79099719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).