4-N-hexan-2-ylhex-5-ene-2,4-diimine

C12H22N2 — CID 123670122

IUPAC4-N-hexan-2-ylhex-5-ene-2,4-diimine
SMILES[H]/N=C(\C)C/C(C=C)=N/C(C)CCCC
InChIInChI=1S/C12H22N2/c1-5-7-8-11(4)14-12(6-2)9-10(3)13/h6,11,13H,2,5,7-9H2,1,3-4H3/b13-10+,14-12+
InChIKeyHMTWNYMYWHALIT-ADWQEOMMSA-N
MW194.32 g/mol
LogP3.62
Rot. Bonds7

About 4-N-hexan-2-ylhex-5-ene-2,4-diimine

4-N-hexan-2-ylhex-5-ene-2,4-diimine (PubChem CID 123670122) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-N-hexan-2-ylhex-5-ene-2,4-diimine.

Molecular Properties

Compound Name4-N-hexan-2-ylhex-5-ene-2,4-diimine
PubChem CID123670122
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-N-hexan-2-ylhex-5-ene-2,4-diimine
SMILES[H]/N=C(\C)C/C(C=C)=N/C(C)CCCC
InChIInChI=1S/C12H22N2/c1-5-7-8-11(4)14-12(6-2)9-10(3)13/h6,11,13H,2,5,7-9H2,1,3-4H3/b13-10+,14-12+
InChIKeyHMTWNYMYWHALIT-ADWQEOMMSA-N
XLogP3.62
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.62
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

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CID 138510684
5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole
CID 141258835
Ethene;3-methyliminopent-4-en-1-amine
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5-Ethyliminoocta-6,7-dien-3-amine
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N-hexan-2-ylhex-5-en-3-imine
CID 175271703
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Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-2-ylhex-5-ene-2,4-diimine?
The IUPAC name of 4-N-hexan-2-ylhex-5-ene-2,4-diimine (CID 123670122) is 4-N-hexan-2-ylhex-5-ene-2,4-diimine.
What is the SMILES notation for 4-N-hexan-2-ylhex-5-ene-2,4-diimine?
The canonical SMILES for 4-N-hexan-2-ylhex-5-ene-2,4-diimine is [H]/N=C(\C)C/C(C=C)=N/C(C)CCCC.
What is the InChIKey of 4-N-hexan-2-ylhex-5-ene-2,4-diimine?
The InChIKey is HMTWNYMYWHALIT-ADWQEOMMSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-8-11(4)14-12(6-2)9-10(3)13/h6,11,13H,2,5,7-9H2,1,3-4H3/b13-10+,14-12+.
What are the key properties of 4-N-hexan-2-ylhex-5-ene-2,4-diimine?
4-N-hexan-2-ylhex-5-ene-2,4-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-2-ylhex-5-ene-2,4-diimine is sourced from PubChem (CID 123670122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).