3-ethenylheptane-1,6-diimine

C9H16N2 — CID 140575858

IUPAC3-ethenylheptane-1,6-diimine
SMILES[H]/N=C/CC(C=C)CC/C(C)=N/[H]
InChIInChI=1S/C9H16N2/c1-3-9(6-7-10)5-4-8(2)11/h3,7,9-11H,1,4-6H2,2H3/b10-7+,11-8+
InChIKeySDBGUXXWXJGGBY-AMMQDNIMSA-N
MW152.24 g/mol
LogP2.65
Rot. Bonds6

About 3-ethenylheptane-1,6-diimine

3-ethenylheptane-1,6-diimine (PubChem CID 140575858) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethenylheptane-1,6-diimine.

Molecular Properties

Compound Name3-ethenylheptane-1,6-diimine
PubChem CID140575858
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-ethenylheptane-1,6-diimine
SMILES[H]/N=C/CC(C=C)CC/C(C)=N/[H]
InChIInChI=1S/C9H16N2/c1-3-9(6-7-10)5-4-8(2)11/h3,7,9-11H,1,4-6H2,2H3/b10-7+,11-8+
InChIKeySDBGUXXWXJGGBY-AMMQDNIMSA-N
XLogP2.65
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Imino-5-methyloct-7-en-2-amine
CID 90277713
(Z)-3-methyloct-5-ene-1,7-diimine
CID 90709896
5,6-Dimethylhept-6-en-1-imine
CID 91525775
3-Propyloct-7-en-2-imine
CID 123397388
2-Propylpent-4-en-1-imine
CID 123447448
2-N-but-3-enyl-3-methylhexane-2,4-diimine
CID 123819837
2-Hexan-3-ylhex-4-en-1-imine
CID 123865105
6-Methylidene-4-propan-2-yloct-7-en-1-imine
CID 139406336
4-Prop-1-en-2-ylheptane-1,6-diimine
CID 140575833
3-(3-Methylidenepent-4-enyl)heptane-1,6-diimine
CID 140575834
4-Ethenylheptane-1,6-diimine
CID 140575842
4-Buta-1,3-dien-2-ylheptane-1,6-diimine
CID 140575850

Frequently Asked Questions

What is the IUPAC name of 3-ethenylheptane-1,6-diimine?
The IUPAC name of 3-ethenylheptane-1,6-diimine (CID 140575858) is 3-ethenylheptane-1,6-diimine.
What is the SMILES notation for 3-ethenylheptane-1,6-diimine?
The canonical SMILES for 3-ethenylheptane-1,6-diimine is [H]/N=C/CC(C=C)CC/C(C)=N/[H].
What is the InChIKey of 3-ethenylheptane-1,6-diimine?
The InChIKey is SDBGUXXWXJGGBY-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-9(6-7-10)5-4-8(2)11/h3,7,9-11H,1,4-6H2,2H3/b10-7+,11-8+.
What are the key properties of 3-ethenylheptane-1,6-diimine?
3-ethenylheptane-1,6-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylheptane-1,6-diimine is sourced from PubChem (CID 140575858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).