N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine

C11H20N2 — CID 57035322

IUPACN,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
SMILESCC(CCN(C)C)C1(C)C=CC=N1
InChIInChI=1S/C11H20N2/c1-10(6-9-13(3)4)11(2)7-5-8-12-11/h5,7-8,10H,6,9H2,1-4H3
InChIKeyVBQAFTOMZRGYRC-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.97
Rot. Bonds4

About N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine

N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine (PubChem CID 57035322) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
PubChem CID57035322
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
SMILESCC(CCN(C)C)C1(C)C=CC=N1
InChIInChI=1S/C11H20N2/c1-10(6-9-13(3)4)11(2)7-5-8-12-11/h5,7-8,10H,6,9H2,1-4H3
InChIKeyVBQAFTOMZRGYRC-UHFFFAOYSA-N
XLogP1.97
TPSA15.60 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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Hexan-3-yl-2-pentylpyrrole
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3-Butan-2-yl-2,2-dimethylpyrrole
CID 90014489
2-(4-Methylpentan-2-yl)-2-propylpyrrole
CID 90742263
2-Ethyl-2-hexan-2-ylpyrrole
CID 90955291
2-Ethyl-2-propan-2-ylpyrrole
CID 91079741
N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 91081982
2-(3-Methylpentan-2-yl)-2-propylpyrrole
CID 91153441
2-(3,3-Dimethylbutan-2-yl)-2-methylpyrrole
CID 91241629
2-Hexan-2-yl-2-propylpyrrole
CID 91263132
2-Butan-2-yl-2-propylpyrrole
CID 91290368

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine (CID 57035322) is N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine is CC(CCN(C)C)C1(C)C=CC=N1.
What is the InChIKey of N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine?
The InChIKey is VBQAFTOMZRGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(6-9-13(3)4)11(2)7-5-8-12-11/h5,7-8,10H,6,9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine?
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine is sourced from PubChem (CID 57035322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).