4-N,6-dimethylhept-5-ene-3,4-diimine

C9H16N2 — CID 123398859

IUPAC4-N,6-dimethylhept-5-ene-3,4-diimine
SMILES[H]/N=C(CC)/C(C=C(C)C)=N/C
InChIInChI=1S/C9H16N2/c1-5-8(10)9(11-4)6-7(2)3/h6,10H,5H2,1-4H3/b10-8+,11-9+
InChIKeyHEJKHAFYTKTWBJ-GFULKKFKSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About 4-N,6-dimethylhept-5-ene-3,4-diimine

4-N,6-dimethylhept-5-ene-3,4-diimine (PubChem CID 123398859) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-N,6-dimethylhept-5-ene-3,4-diimine.

Molecular Properties

Compound Name4-N,6-dimethylhept-5-ene-3,4-diimine
PubChem CID123398859
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-N,6-dimethylhept-5-ene-3,4-diimine
SMILES[H]/N=C(CC)/C(C=C(C)C)=N/C
InChIInChI=1S/C9H16N2/c1-5-8(10)9(11-4)6-7(2)3/h6,10H,5H2,1-4H3/b10-8+,11-9+
InChIKeyHEJKHAFYTKTWBJ-GFULKKFKSA-N
XLogP2.45
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
N,6-dimethylhept-5-en-2-imine
CID 58590796
4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
CID 68983224
(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine
CID 69247064
2-Ethylcyclohexa-2,5-diene-1,4-diimine
CID 69932958
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
2-N,3,6-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89181403
3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
(Z)-N,3-dimethylhept-2-en-4-imine
CID 89441742

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethylhept-5-ene-3,4-diimine?
The IUPAC name of 4-N,6-dimethylhept-5-ene-3,4-diimine (CID 123398859) is 4-N,6-dimethylhept-5-ene-3,4-diimine.
What is the SMILES notation for 4-N,6-dimethylhept-5-ene-3,4-diimine?
The canonical SMILES for 4-N,6-dimethylhept-5-ene-3,4-diimine is [H]/N=C(CC)/C(C=C(C)C)=N/C.
What is the InChIKey of 4-N,6-dimethylhept-5-ene-3,4-diimine?
The InChIKey is HEJKHAFYTKTWBJ-GFULKKFKSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-8(10)9(11-4)6-7(2)3/h6,10H,5H2,1-4H3/b10-8+,11-9+.
What are the key properties of 4-N,6-dimethylhept-5-ene-3,4-diimine?
4-N,6-dimethylhept-5-ene-3,4-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethylhept-5-ene-3,4-diimine is sourced from PubChem (CID 123398859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).