N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine

C19H31N — CID 130182348

IUPACN-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine
SMILESC=C/C=C(C)\C=C/CC(=C/CC)/N=C(\C)CCCCC
InChIInChI=1S/C19H31N/c1-6-9-10-15-18(5)20-19(13-8-3)16-11-14-17(4)12-7-2/h7,11-14H,2,6,8-10,15-16H2,1,3-5H3/b14-11-,17-12-,19-13-,20-18+
InChIKeyHGEFQWACLBZKMB-BIBYVISMSA-N
MW273.46 g/mol
LogP6.40
Rot. Bonds10

About N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine

N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine (PubChem CID 130182348) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine.

Molecular Properties

Compound NameN-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine
PubChem CID130182348
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine
SMILESC=C/C=C(C)\C=C/CC(=C/CC)/N=C(\C)CCCCC
InChIInChI=1S/C19H31N/c1-6-9-10-15-18(5)20-19(13-8-3)16-11-14-17(4)12-7-2/h7,11-14H,2,6,8-10,15-16H2,1,3-5H3/b14-11-,17-12-,19-13-,20-18+
InChIKeyHGEFQWACLBZKMB-BIBYVISMSA-N
XLogP6.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.40
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'}

Analyze N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine with MolForge

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Related Compounds

(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine
CID 89258854
2-[(3E)-hepta-1,3-dien-4-yl]-5-methylidenepyrrole
CID 90261573
N-(3,6,7-trimethylundeca-1,3,5,7,9-pentaen-2-yl)but-3-en-2-imine
CID 90908627
(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
CID 91090148
N-(5-ethyl-5-methyl-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)heptan-2-imine
CID 91372726
(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
CID 121372118
(3E)-3-but-3-enylidene-4,6,9-trimethyl-2,5-diazabicyclo[5.5.0]dodeca-1,4,6,9,11-pentaene
CID 123146075
N-[(3E,5Z)-4,5-dimethylnona-3,5,8-trien-3-yl]-4-methylhexan-2-imine
CID 123167041
(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine
CID 123293045
2-chloro-6-methylidene-N-prop-1-en-2-yldeca-1,3-dien-5-imine
CID 123366899
N-[(3Z)-5,6-dimethylideneocta-1,3,7-trien-2-yl]butan-2-imine
CID 123374748

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine?
The IUPAC name of N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine (CID 130182348) is N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine.
What is the SMILES notation for N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine?
The canonical SMILES for N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine is C=C/C=C(C)\C=C/CC(=C/CC)/N=C(\C)CCCCC.
What is the InChIKey of N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine?
The InChIKey is HGEFQWACLBZKMB-BIBYVISMSA-N. The full InChI is InChI=1S/C19H31N/c1-6-9-10-15-18(5)20-19(13-8-3)16-11-14-17(4)12-7-2/h7,11-14H,2,6,8-10,15-16H2,1,3-5H3/b14-11-,17-12-,19-13-,20-18+.
What are the key properties of N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine?
N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine has a molecular weight of 273.46 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine is sourced from PubChem (CID 130182348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).