N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane

C14H20ClN — CID 144694302

IUPACN-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane
SMILESC=C/C=C(C(\Cl)=C/C)/C(=C\C=C)N=C.CC
InChIInChI=1S/C12H14ClN.C2H6/c1-5-8-10(11(13)7-3)12(14-4)9-6-2;1-2/h5-9H,1-2,4H2,3H3;1-2H3/b10-8-,11-7+,12-9+;
InChIKeyDYDCRAXHQSHYDJ-USPCXQMTSA-N
MW237.77 g/mol
LogP5.04
Rot. Bonds5

About N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane

N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane (PubChem CID 144694302) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane
PubChem CID144694302
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane
SMILESC=C/C=C(C(\Cl)=C/C)/C(=C\C=C)N=C.CC
InChIInChI=1S/C12H14ClN.C2H6/c1-5-8-10(11(13)7-3)12(14-4)9-6-2;1-2/h5-9H,1-2,4H2,3H3;1-2H3/b10-8-,11-7+,12-9+;
InChIKeyDYDCRAXHQSHYDJ-USPCXQMTSA-N
XLogP5.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.77
LogP ≤ 55.04
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'}

Analyze N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101
N-(8-methyl-6-methylidenenona-2,4,8-trien-3-yl)methanimine
CID 123351664
N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine
CID 123406859
N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine
CID 123872474
N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
CID 123924179
N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine
CID 129310416
N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine
CID 130317733
N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine
CID 130348653

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane?
The IUPAC name of N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane (CID 144694302) is N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane.
What is the SMILES notation for N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane?
The canonical SMILES for N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane is C=C/C=C(C(\Cl)=C/C)/C(=C\C=C)N=C.CC.
What is the InChIKey of N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane?
The InChIKey is DYDCRAXHQSHYDJ-USPCXQMTSA-N. The full InChI is InChI=1S/C12H14ClN.C2H6/c1-5-8-10(11(13)7-3)12(14-4)9-6-2;1-2/h5-9H,1-2,4H2,3H3;1-2H3/b10-8-,11-7+,12-9+;.
What are the key properties of N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane?
N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane has a molecular weight of 237.77 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-5-[(E)-1-chloroprop-1-enyl]octa-1,3,5,7-tetraen-4-yl]methanimine;ethane is sourced from PubChem (CID 144694302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).