N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine

C12H14ClN — CID 123406859

IUPACN-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine
SMILESC=CC=C(N=C)C(=C)C=CC=C(C)Cl
InChIInChI=1S/C12H14ClN/c1-5-7-12(14-4)10(2)8-6-9-11(3)13/h5-9H,1-2,4H2,3H3
InChIKeyNAYLAGSEDRBUIP-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.01
Rot. Bonds5

About N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine

N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine (PubChem CID 123406859) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine.

Molecular Properties

Compound NameN-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine
PubChem CID123406859
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC NameN-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine
SMILESC=CC=C(N=C)C(=C)C=CC=C(C)Cl
InChIInChI=1S/C12H14ClN/c1-5-7-12(14-4)10(2)8-6-9-11(3)13/h5-9H,1-2,4H2,3H3
InChIKeyNAYLAGSEDRBUIP-UHFFFAOYSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.01
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-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 134178760
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
methyl N-[(3E,5E)-5-(1-chloroethenyl)nona-3,5,8-trien-4-yl]methanimidate
CID 89315041
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
(3Z,4Z)-6-chloro-N,N-dimethyl-3-[1-(methylideneamino)ethylidene]hepta-1,4-dien-2-amine
CID 90291323
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine
CID 90857049
6-Chloro-3-ethylidene-2-methylidenepyridine
CID 91385166
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451

Frequently Asked Questions

What is the IUPAC name of N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine?
The IUPAC name of N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine (CID 123406859) is N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine.
What is the SMILES notation for N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine?
The canonical SMILES for N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine is C=CC=C(N=C)C(=C)C=CC=C(C)Cl.
What is the InChIKey of N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine?
The InChIKey is NAYLAGSEDRBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-5-7-12(14-4)10(2)8-6-9-11(3)13/h5-9H,1-2,4H2,3H3.
What are the key properties of N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine?
N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine has a molecular weight of 207.70 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine is sourced from PubChem (CID 123406859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).