[2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine

C15H26N2 — CID 123341758

IUPAC[2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine
SMILES[H]/N=C/C1C(CC=CC=C)CNC1CC(C)(C)C
InChIInChI=1S/C15H26N2/c1-5-6-7-8-12-11-17-14(13(12)10-16)9-15(2,3)4/h5-7,10,12-14,16-17H,1,8-9,11H2,2-4H3/b7-6?,16-10+
InChIKeyQOXGHGPDZDTAOR-HPEYLCDTSA-N
MW234.39 g/mol
LogP3.41
Rot. Bonds5

About [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine

[2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine (PubChem CID 123341758) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine
PubChem CID123341758
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name[2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine
SMILES[H]/N=C/C1C(CC=CC=C)CNC1CC(C)(C)C
InChIInChI=1S/C15H26N2/c1-5-6-7-8-12-11-17-14(13(12)10-16)9-15(2,3)4/h5-7,10,12-14,16-17H,1,8-9,11H2,2-4H3/b7-6?,16-10+
InChIKeyQOXGHGPDZDTAOR-HPEYLCDTSA-N
XLogP3.41
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879740
10,15,16-Trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879772
10,16-Diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879809
(2R)-2-[(4S)-4-[2-[(5R)-3-but-3-enyl-2-[(2S)-hept-6-en-2-yl]-2-[(Z)-hept-4-en-2-yl]-4,5-dimethylcyclopent-3-en-1-yl]ethyl]-5-(3-propan-2-yloctan-2-yl)cyclohexa-1,5-dien-1-yl]-N-[2-[(1S)-cyclohex-2-en-1-yl]ethyl]-3-iminopropan-1-amine
CID 89392094
2-(2,2-Dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile
CID 123959396
ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
CID 142044105
(E)-4-[(Z)-4-(5-ethylpyrrolidin-3-yl)but-1-enyl]dodec-2-en-1-imine
CID 143188374
2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine
CID 145012056
2-(2-Cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine
CID 163542700
4-methyl-2-[(5Z,7E)-3-(2-methyl-4-methylidene-2-prop-1-en-2-ylhexyl)nona-5,7-dien-2-yl]pyrrolidine
CID 167190857
(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
CID 142044106

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine?
The IUPAC name of [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine (CID 123341758) is [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine.
What is the SMILES notation for [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine?
The canonical SMILES for [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine is [H]/N=C/C1C(CC=CC=C)CNC1CC(C)(C)C.
What is the InChIKey of [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine?
The InChIKey is QOXGHGPDZDTAOR-HPEYLCDTSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-7-8-12-11-17-14(13(12)10-16)9-15(2,3)4/h5-7,10,12-14,16-17H,1,8-9,11H2,2-4H3/b7-6?,16-10+.
What are the key properties of [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine?
[2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine has a molecular weight of 234.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidin-3-yl]methanimine is sourced from PubChem (CID 123341758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).