(4S)-4-ethenyl-6-methylheptane-1,2-diimine

C10H18N2 — CID 166736814

IUPAC(4S)-4-ethenyl-6-methylheptane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C[C@@H](C=C)CC(C)C
InChIInChI=1S/C10H18N2/c1-4-9(5-8(2)3)6-10(12)7-11/h4,7-9,11-12H,1,5-6H2,2-3H3/b11-7+,12-10-/t9-/m0/s1
InChIKeyCTVRHYGBXBMDDA-IRENGLFDSA-N
MW166.27 g/mol
LogP2.89
Rot. Bonds6

About (4S)-4-ethenyl-6-methylheptane-1,2-diimine

(4S)-4-ethenyl-6-methylheptane-1,2-diimine (PubChem CID 166736814) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4S)-4-ethenyl-6-methylheptane-1,2-diimine.

Molecular Properties

Compound Name(4S)-4-ethenyl-6-methylheptane-1,2-diimine
PubChem CID166736814
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4S)-4-ethenyl-6-methylheptane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C[C@@H](C=C)CC(C)C
InChIInChI=1S/C10H18N2/c1-4-9(5-8(2)3)6-10(12)7-11/h4,7-9,11-12H,1,5-6H2,2-3H3/b11-7+,12-10-/t9-/m0/s1
InChIKeyCTVRHYGBXBMDDA-IRENGLFDSA-N
XLogP2.89
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-6-methylheptane-1,2-diimine?
The IUPAC name of (4S)-4-ethenyl-6-methylheptane-1,2-diimine (CID 166736814) is (4S)-4-ethenyl-6-methylheptane-1,2-diimine.
What is the SMILES notation for (4S)-4-ethenyl-6-methylheptane-1,2-diimine?
The canonical SMILES for (4S)-4-ethenyl-6-methylheptane-1,2-diimine is [H]/N=C(\C=N\[H])C[C@@H](C=C)CC(C)C.
What is the InChIKey of (4S)-4-ethenyl-6-methylheptane-1,2-diimine?
The InChIKey is CTVRHYGBXBMDDA-IRENGLFDSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(5-8(2)3)6-10(12)7-11/h4,7-9,11-12H,1,5-6H2,2-3H3/b11-7+,12-10-/t9-/m0/s1.
What are the key properties of (4S)-4-ethenyl-6-methylheptane-1,2-diimine?
(4S)-4-ethenyl-6-methylheptane-1,2-diimine has a molecular weight of 166.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-6-methylheptane-1,2-diimine is sourced from PubChem (CID 166736814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).