3-(2-methylpyrrol-2-yl)butan-2-imine

C9H14N2 — CID 57035429

IUPAC3-(2-methylpyrrol-2-yl)butan-2-imine
SMILES[H]/N=C(\C)C(C)C1(C)C=CC=N1
InChIInChI=1S/C9H14N2/c1-7(8(2)10)9(3)5-4-6-11-9/h4-7,10H,1-3H3/b10-8+
InChIKeyLRJGGHUNZNEPRM-CSKARUKUSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds2

About 3-(2-methylpyrrol-2-yl)butan-2-imine

3-(2-methylpyrrol-2-yl)butan-2-imine (PubChem CID 57035429) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-(2-methylpyrrol-2-yl)butan-2-imine.

Molecular Properties

Compound Name3-(2-methylpyrrol-2-yl)butan-2-imine
PubChem CID57035429
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-(2-methylpyrrol-2-yl)butan-2-imine
SMILES[H]/N=C(\C)C(C)C1(C)C=CC=N1
InChIInChI=1S/C9H14N2/c1-7(8(2)10)9(3)5-4-6-11-9/h4-7,10H,1-3H3/b10-8+
InChIKeyLRJGGHUNZNEPRM-CSKARUKUSA-N
XLogP2.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-Ethylpyrrol-2-yl)ethanimine
CID 57211117
2-Ethyl-2-propan-2-ylpyrrole
CID 91079741
(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
CID 91216602
2-(3,3-Dimethylbutan-2-yl)-2-methylpyrrole
CID 91241629
2-Butan-2-yl-2-propylpyrrole
CID 91290368
2-Butan-2-yl-2-methylpyrrole
CID 91401674
2-Propan-2-yl-2-propylpyrrole
CID 91513599
2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine
CID 123498976
2,2,6-trimethyl-3H-azepin-4-imine
CID 123549172
(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine
CID 123693521
(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine
CID 146367004
2,2-Di(propan-2-yl)pyrrole
CID 175268283

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrol-2-yl)butan-2-imine?
The IUPAC name of 3-(2-methylpyrrol-2-yl)butan-2-imine (CID 57035429) is 3-(2-methylpyrrol-2-yl)butan-2-imine.
What is the SMILES notation for 3-(2-methylpyrrol-2-yl)butan-2-imine?
The canonical SMILES for 3-(2-methylpyrrol-2-yl)butan-2-imine is [H]/N=C(\C)C(C)C1(C)C=CC=N1.
What is the InChIKey of 3-(2-methylpyrrol-2-yl)butan-2-imine?
The InChIKey is LRJGGHUNZNEPRM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(8(2)10)9(3)5-4-6-11-9/h4-7,10H,1-3H3/b10-8+.
What are the key properties of 3-(2-methylpyrrol-2-yl)butan-2-imine?
3-(2-methylpyrrol-2-yl)butan-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrol-2-yl)butan-2-imine is sourced from PubChem (CID 57035429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).