(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine

C10H18N2 — CID 139468551

IUPAC(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine
SMILESC=N/C=C\C(CC(C)(C)C)=N/C
InChIInChI=1S/C10H18N2/c1-10(2,3)8-9(12-5)6-7-11-4/h6-7H,4,8H2,1-3,5H3/b7-6-,12-9+
InChIKeyDPXHJNHAICZRQQ-IYNHQRNQSA-N
MW166.27 g/mol
LogP2.71
Rot. Bonds3

About (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine

(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine (PubChem CID 139468551) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine
PubChem CID139468551
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine
SMILESC=N/C=C\C(CC(C)(C)C)=N/C
InChIInChI=1S/C10H18N2/c1-10(2,3)8-9(12-5)6-7-11-4/h6-7H,4,8H2,1-3,5H3/b7-6-,12-9+
InChIKeyDPXHJNHAICZRQQ-IYNHQRNQSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine?
The IUPAC name of (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine (CID 139468551) is (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine is C=N/C=C\C(CC(C)(C)C)=N/C.
What is the InChIKey of (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine?
The InChIKey is DPXHJNHAICZRQQ-IYNHQRNQSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)8-9(12-5)6-7-11-4/h6-7H,4,8H2,1-3,5H3/b7-6-,12-9+.
What are the key properties of (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine?
(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine has a molecular weight of 166.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine is sourced from PubChem (CID 139468551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).