2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine

C11H20N2 — CID 29008129

IUPAC2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cccn1C
InChIInChI=1S/C11H20N2/c1-5-11(2,3)12-9-10-7-6-8-13(10)4/h6-8,12H,5,9H2,1-4H3
InChIKeyYPRIULNRZXLNTC-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine (PubChem CID 29008129) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
PubChem CID29008129
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cccn1C
InChIInChI=1S/C11H20N2/c1-5-11(2,3)12-9-10-7-6-8-13(10)4/h6-8,12H,5,9H2,1-4H3
InChIKeyYPRIULNRZXLNTC-UHFFFAOYSA-N
XLogP2.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 62517107
methyl (3S)-3-methyl-3-[(1-methylpyrrol-2-yl)methylamino]pentanoate
CID 95972101
N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82709339
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877030
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 104857754
4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine
CID 107234475
6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
CID 115663458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine (CID 29008129) is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine is CCC(C)(C)NCc1cccn1C.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine?
The InChIKey is YPRIULNRZXLNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-11(2,3)12-9-10-7-6-8-13(10)4/h6-8,12H,5,9H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine?
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine has a molecular weight of 180.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 29008129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).