N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine

C15H27N — CID 143173588

IUPACN-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C(\C=C/C)C(C)C)C(CC)CCC
InChIInChI=1S/C15H27N/c1-7-10-13(9-3)15(16-6)14(11-8-2)12(4)5/h8,11-13H,6-7,9-10H2,1-5H3/b11-8-,15-14+
InChIKeyAVFZRWCZYKOBKB-ZSBLQLENSA-N
MW221.39 g/mol
LogP5.00
Rot. Bonds7

About N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine

N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine (PubChem CID 143173588) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine
PubChem CID143173588
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C(\C=C/C)C(C)C)C(CC)CCC
InChIInChI=1S/C15H27N/c1-7-10-13(9-3)15(16-6)14(11-8-2)12(4)5/h8,11-13H,6-7,9-10H2,1-5H3/b11-8-,15-14+
InChIKeyAVFZRWCZYKOBKB-ZSBLQLENSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 55.00
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-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine
CID 155019711
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine
CID 90266728
Ethane;8-methyl-3,4,4a,5-tetrahydroquinoline
CID 91349973
N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
CID 123335015
N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine
CID 123478687
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
N-[(4E)-4-ethyl-2,3-dimethylhepta-4,6-dien-2-yl]methanimine
CID 126591146
N-[(4E)-2,4-dimethylhepta-4,6-dien-2-yl]methanimine
CID 126760046
N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
CID 130183308
N-[2-[(Z)-prop-1-enyl]cyclohexen-1-yl]methanimine
CID 130311244

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine (CID 143173588) is N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine is C=N/C(=C(\C=C/C)C(C)C)C(CC)CCC.
What is the InChIKey of N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine?
The InChIKey is AVFZRWCZYKOBKB-ZSBLQLENSA-N. The full InChI is InChI=1S/C15H27N/c1-7-10-13(9-3)15(16-6)14(11-8-2)12(4)5/h8,11-13H,6-7,9-10H2,1-5H3/b11-8-,15-14+.
What are the key properties of N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine?
N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine has a molecular weight of 221.39 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine is sourced from PubChem (CID 143173588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).