N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine

C22H37N — CID 123310652

IUPACN-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine
SMILESC=CC=C(C=C(CC)CC(C)CCCCCCC)C(=CC)N=C
InChIInChI=1S/C22H37N/c1-7-11-12-13-14-16-19(5)17-20(9-3)18-21(15-8-2)22(10-4)23-6/h8,10,15,18-19H,2,6-7,9,11-14,16-17H2,1,3-5H3
InChIKeyBZBOHFZQDFOSCE-UHFFFAOYSA-N
MW315.55 g/mol
LogP7.43
Rot. Bonds13

About N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine

N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine (PubChem CID 123310652) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine.

Molecular Properties

Compound NameN-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine
PubChem CID123310652
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine
SMILESC=CC=C(C=C(CC)CC(C)CCCCCCC)C(=CC)N=C
InChIInChI=1S/C22H37N/c1-7-11-12-13-14-16-19(5)17-20(9-3)18-21(15-8-2)22(10-4)23-6/h8,10,15,18-19H,2,6-7,9,11-14,16-17H2,1,3-5H3
InChIKeyBZBOHFZQDFOSCE-UHFFFAOYSA-N
XLogP7.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4E)-3-[(1-fluorocyclohexyl)methyl]-4-[(E)-4-methyl-2-methylidene-3-prop-1-en-2-ylhex-3-enylidene]cyclopenten-1-yl]-2-methylcyclohexa-1,5-dien-1-yl]methanimine
CID 135295167
N-[(3E,5E)-5-(4,5-diethylcyclohexa-1,5-dien-1-yl)-3-fluoro-6,7-dimethylocta-1,3,5,7-tetraen-2-yl]methanimine
CID 155297891
N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine
CID 123765970
But-1-enyl-[4-ethyl-5-(5-methylcyclohexa-1,3-dien-1-yl)-3-[1-(methylideneamino)ethylidene]hexa-1,5-dienyl]-methylideneazanium
CID 123817648
N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine
CID 126639721
N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine
CID 130346396
N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
CID 134172267
N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine
CID 134213997
(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine
CID 134256600
(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 137391903
(2E,4Z)-7-[2-tert-butyl-5-(2,5-dimethylhexan-2-yl)cyclohepta-1,3,4-trien-1-yl]-N,N-dimethylocta-2,4,7-trien-3-amine
CID 137546467
ethane;ethene;3-ethyl-5-methylheptane;4-ethyl-2-methyloctane;(2Z,4E)-hexa-2,4-diene;(2Z,4E)-3-methylhexa-2,4-diene;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;N-[(E)-prop-1-enyl]methanimine
CID 141952670

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine?
The IUPAC name of N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine (CID 123310652) is N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine.
What is the SMILES notation for N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine?
The canonical SMILES for N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine is C=CC=C(C=C(CC)CC(C)CCCCCCC)C(=CC)N=C.
What is the InChIKey of N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine?
The InChIKey is BZBOHFZQDFOSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-7-11-12-13-14-16-19(5)17-20(9-3)18-21(15-8-2)22(10-4)23-6/h8,10,15,18-19H,2,6-7,9,11-14,16-17H2,1,3-5H3.
What are the key properties of N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine?
N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine has a molecular weight of 315.55 g/mol, XLogP of 7.43, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine is sourced from PubChem (CID 123310652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).