(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine

C10H16N2 — CID 146288740

IUPAC(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine
SMILES[H]/N=C/C(/C=C(C)\C(C)=N\[H])=C(C)C
InChIInChI=1S/C10H16N2/c1-7(2)10(6-11)5-8(3)9(4)12/h5-6,11-12H,1-4H3/b8-5-,11-6+,12-9+
InChIKeyHFPXHEZWWQKAAF-QQEFATLYSA-N
MW164.25 g/mol
LogP2.96
Rot. Bonds3

About (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine

(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine (PubChem CID 146288740) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine.

Molecular Properties

Compound Name(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine
PubChem CID146288740
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine
SMILES[H]/N=C/C(/C=C(C)\C(C)=N\[H])=C(C)C
InChIInChI=1S/C10H16N2/c1-7(2)10(6-11)5-8(3)9(4)12/h5-6,11-12H,1-4H3/b8-5-,11-6+,12-9+
InChIKeyHFPXHEZWWQKAAF-QQEFATLYSA-N
XLogP2.96
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
5-chloro-3-methylpent-3-en-2-imine
CID 174617581
(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine
CID 167523417
3-methylhept-3-ene-2,6-diimine
CID 123609238
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
methylcyclopentane;(E)-3-methylpent-3-en-2-imine
CID 144805325
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine
CID 165143463
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
(Z)-4-iminopent-2-en-3-amine
CID 147180053
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
CID 166837090

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine?
The IUPAC name of (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine (CID 146288740) is (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine.
What is the SMILES notation for (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine?
The canonical SMILES for (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine is [H]/N=C/C(/C=C(C)\C(C)=N\[H])=C(C)C.
What is the InChIKey of (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine?
The InChIKey is HFPXHEZWWQKAAF-QQEFATLYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10(6-11)5-8(3)9(4)12/h5-6,11-12H,1-4H3/b8-5-,11-6+,12-9+.
What are the key properties of (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine?
(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine is sourced from PubChem (CID 146288740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).