N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine

C14H25N — CID 123838975

IUPACN-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine
SMILESC=NC=C(CC(C)C)C(=CCC)CCC
InChIInChI=1S/C14H25N/c1-6-8-13(9-7-2)14(11-15-5)10-12(3)4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyGPYDZXLPLDDMIT-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds7

About N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine

N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine (PubChem CID 123838975) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine
PubChem CID123838975
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine
SMILESC=NC=C(CC(C)C)C(=CCC)CCC
InChIInChI=1S/C14H25N/c1-6-8-13(9-7-2)14(11-15-5)10-12(3)4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyGPYDZXLPLDDMIT-UHFFFAOYSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
CID 167004090
N-[2-[1-(2-prop-1-enylcyclopropyl)propan-2-yl]pent-1-enyl]methanimine
CID 91209535
N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 91443092
N-(4,7-dimethylocta-1,3-dienyl)methanimine
CID 91592171
N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine
CID 123818973
3-Ethyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
CID 129159225
3,4-Di(propan-2-yl)-1-azacyclohepta-2,4,6,7-tetraene
CID 129274019
N-[(1Z,3Z)-2-methyl-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 130269458
N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine
CID 134213997
N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine
CID 134419944
N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine
CID 134566813
N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
CID 137390856

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine (CID 123838975) is N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine is C=NC=C(CC(C)C)C(=CCC)CCC.
What is the InChIKey of N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine?
The InChIKey is GPYDZXLPLDDMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-8-13(9-7-2)14(11-15-5)10-12(3)4/h8,11-12H,5-7,9-10H2,1-4H3.
What are the key properties of N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine?
N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 123838975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).