(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)

C54H102N4 — CID 158934781

IUPAC(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)
SMILESC/N=C(\C)C(C)(C)/C(C)=C(/C)C(C)(C)C.C/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.C/N=C(\C)C(C)=C(C)C(C)=C(C)C.C/N=C(\C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C16H33N.C14H27N.2C12H21N/c1-12(17-11)14(5,6)16(9,10)15(7,8)13(2,3)4;1-10(13(4,5)6)11(2)14(7,8)12(3)15-9;2*1-8(2)9(3)10(4)11(5)12(6)13-7/h1-11H3;1-9H3;2*1-7H3/b17-12+;11-10-,15-12+;2*11-10?,13-12+
InChIKeyJJMYIDJXGUMTOJ-QMIXAERDSA-N
MW807.44 g/mol
LogP17.23
Rot. Bonds9

About (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)

(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine) (PubChem CID 158934781) has the molecular formula C54H102N4 and a molecular weight of 807.44 g/mol. Its IUPAC name is (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine).

Molecular Properties

Compound Name(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)
PubChem CID158934781
Molecular FormulaC54H102N4
Molecular Weight807.44 g/mol
Exact Mass806.81
IUPAC Name(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)
SMILESC/N=C(\C)C(C)(C)/C(C)=C(/C)C(C)(C)C.C/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.C/N=C(\C)C(C)=C(C)C(C)=C(C)C.C/N=C(\C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C16H33N.C14H27N.2C12H21N/c1-12(17-11)14(5,6)16(9,10)15(7,8)13(2,3)4;1-10(13(4,5)6)11(2)14(7,8)12(3)15-9;2*1-8(2)9(3)10(4)11(5)12(6)13-7/h1-11H3;1-9H3;2*1-7H3/b17-12+;11-10-,15-12+;2*11-10?,13-12+
InChIKeyJJMYIDJXGUMTOJ-QMIXAERDSA-N
XLogP17.23
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.44
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine) 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

3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
CID 20681059
(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane
CID 142374781
1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine
CID 143392002
(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine
CID 142374782

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)?
The IUPAC name of (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine) (CID 158934781) is (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine).
What is the SMILES notation for (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)?
The canonical SMILES for (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine) is C/N=C(\C)C(C)(C)/C(C)=C(/C)C(C)(C)C.C/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.C/N=C(\C)C(C)=C(C)C(C)=C(C)C.C/N=C(\C)C(C)=C(C)C(C)=C(C)C.
What is the InChIKey of (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)?
The InChIKey is JJMYIDJXGUMTOJ-QMIXAERDSA-N. The full InChI is InChI=1S/C16H33N.C14H27N.2C12H21N/c1-12(17-11)14(5,6)16(9,10)15(7,8)13(2,3)4;1-10(13(4,5)6)11(2)14(7,8)12(3)15-9;2*1-8(2)9(3)10(4)11(5)12(6)13-7/h1-11H3;1-9H3;2*1-7H3/b17-12+;11-10-,15-12+;2*11-10?,13-12+.
What are the key properties of (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)?
(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine) has a molecular weight of 807.44 g/mol, XLogP of 17.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine) is sourced from PubChem (CID 158934781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).