N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine

C11H20N2 — CID 176586789

IUPACN,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine
SMILESCC(C)c1ccn(CCN(C)C)c1
InChIInChI=1S/C11H20N2/c1-10(2)11-5-6-13(9-11)8-7-12(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJPVSEKWIGZECGR-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.17
Rot. Bonds4

About N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine

N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine (PubChem CID 176586789) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine
PubChem CID176586789
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine
SMILESCC(C)c1ccn(CCN(C)C)c1
InChIInChI=1S/C11H20N2/c1-10(2)11-5-6-13(9-11)8-7-12(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJPVSEKWIGZECGR-UHFFFAOYSA-N
XLogP2.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine (CID 176586789) is N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine is CC(C)c1ccn(CCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine?
The InChIKey is JPVSEKWIGZECGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)11-5-6-13(9-11)8-7-12(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine?
N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-propan-2-ylpyrrol-1-yl)ethanamine is sourced from PubChem (CID 176586789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).