(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine

C13H24N2 — CID 91067055

IUPAC(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine
SMILESCCCCCC/N=C(C)/C=C(C)\C=N\C
InChIInChI=1S/C13H24N2/c1-5-6-7-8-9-15-13(3)10-12(2)11-14-4/h10-11H,5-9H2,1-4H3/b12-10-,14-11+,15-13+
InChIKeyCCMJDBZVLGRONN-BGZABPNLSA-N
MW208.35 g/mol
LogP3.67
Rot. Bonds7

About (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine

(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine (PubChem CID 91067055) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine
PubChem CID91067055
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine
SMILESCCCCCC/N=C(C)/C=C(C)\C=N\C
InChIInChI=1S/C13H24N2/c1-5-6-7-8-9-15-13(3)10-12(2)11-14-4/h10-11H,5-9H2,1-4H3/b12-10-,14-11+,15-13+
InChIKeyCCMJDBZVLGRONN-BGZABPNLSA-N
XLogP3.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
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CID 127262357
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
(E)-N,N'-dipentylpent-2-ene-1,5-diimine
CID 19025926
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
N,N'-dipentylpent-2-ene-1,5-diimine
CID 54354710
3-Butyl-6-methyl-2,5-dihydropyridine
CID 57086307
N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 74047303
4-Ethyl-2-methyl-2,3-dihydropyridine
CID 89150349
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481
N-hexyl-2-propylpent-2-en-1-imine
CID 90856067

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine?
The IUPAC name of (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine (CID 91067055) is (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine?
The canonical SMILES for (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine is CCCCCC/N=C(C)/C=C(C)\C=N\C.
What is the InChIKey of (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine?
The InChIKey is CCMJDBZVLGRONN-BGZABPNLSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-6-7-8-9-15-13(3)10-12(2)11-14-4/h10-11H,5-9H2,1-4H3/b12-10-,14-11+,15-13+.
What are the key properties of (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine?
(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine is sourced from PubChem (CID 91067055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).