(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine

C15H26N2 — CID 145242480

IUPAC(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine
SMILES[H]/N=C(\C=C/C)C(/C=N/CC)=C(/C)CC(C)(C)C
InChIInChI=1S/C15H26N2/c1-7-9-14(16)13(11-17-8-2)12(3)10-15(4,5)6/h7,9,11,16H,8,10H2,1-6H3/b9-7-,13-12-,16-14+,17-11+
InChIKeyIVHYXFPBQGZDJJ-OKIWOWNBSA-N
MW234.39 g/mol
LogP4.43
Rot. Bonds5

About (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine

(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine (PubChem CID 145242480) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine.

Molecular Properties

Compound Name(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine
PubChem CID145242480
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine
SMILES[H]/N=C(\C=C/C)C(/C=N/CC)=C(/C)CC(C)(C)C
InChIInChI=1S/C15H26N2/c1-7-9-14(16)13(11-17-8-2)12(3)10-15(4,5)6/h7,9,11,16H,8,10H2,1-6H3/b9-7-,13-12-,16-14+,17-11+
InChIKeyIVHYXFPBQGZDJJ-OKIWOWNBSA-N
XLogP4.43
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(Z)-5,5-dimethylhex-2-ene-1,4-diimine
CID 88945909
(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine
CID 122542364
(E)-N,3,5,5-tetramethylhex-2-en-1-imine
CID 122594331
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine
CID 123446785
2,2,6-trimethyl-3H-azepin-4-imine
CID 123549172
1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine
CID 123612288
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
CID 123743575
2-Methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine
CID 123835710

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine?
The IUPAC name of (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine (CID 145242480) is (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine.
What is the SMILES notation for (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine?
The canonical SMILES for (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine is [H]/N=C(\C=C/C)C(/C=N/CC)=C(/C)CC(C)(C)C.
What is the InChIKey of (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine?
The InChIKey is IVHYXFPBQGZDJJ-OKIWOWNBSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-9-14(16)13(11-17-8-2)12(3)10-15(4,5)6/h7,9,11,16H,8,10H2,1-6H3/b9-7-,13-12-,16-14+,17-11+.
What are the key properties of (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine?
(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine has a molecular weight of 234.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine is sourced from PubChem (CID 145242480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).