1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine

C15H26N2 — CID 123751081

IUPAC1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
SMILES[H]/N=C(\C=CC)C1C(C)C(C)=NC1C(C)C(C)C
InChIInChI=1S/C15H26N2/c1-7-8-13(16)14-11(5)12(6)17-15(14)10(4)9(2)3/h7-11,14-16H,1-6H3/b8-7?,16-13+
InChIKeyPGLPKQPUZACZFJ-FOLQUCBNSA-N
MW234.39 g/mol
LogP3.97
Rot. Bonds4

About 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine

1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine (PubChem CID 123751081) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine.

Molecular Properties

Compound Name1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
PubChem CID123751081
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
SMILES[H]/N=C(\C=CC)C1C(C)C(C)=NC1C(C)C(C)C
InChIInChI=1S/C15H26N2/c1-7-8-13(16)14-11(5)12(6)17-15(14)10(4)9(2)3/h7-11,14-16H,1-6H3/b8-7?,16-13+
InChIKeyPGLPKQPUZACZFJ-FOLQUCBNSA-N
XLogP3.97
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.97
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

5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118
3,3a,5,6,8a,8b-Hexahydrocyclopenta[b]indol-5-amine
CID 91206170
1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
CID 91394984
2-ethanimidoyl-3-N-(3-methylbutan-2-yl)cyclohept-4-ene-1,3-diimine
CID 91598868
1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine
CID 91610715
(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine
CID 123142784

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine?
The IUPAC name of 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine (CID 123751081) is 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine.
What is the SMILES notation for 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine?
The canonical SMILES for 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine is [H]/N=C(\C=CC)C1C(C)C(C)=NC1C(C)C(C)C.
What is the InChIKey of 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine?
The InChIKey is PGLPKQPUZACZFJ-FOLQUCBNSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-8-13(16)14-11(5)12(6)17-15(14)10(4)9(2)3/h7-11,14-16H,1-6H3/b8-7?,16-13+.
What are the key properties of 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine?
1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine has a molecular weight of 234.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine is sourced from PubChem (CID 123751081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).