4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine

C10H18N2 — CID 118516099

IUPAC4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine
SMILES[H]/N=C(\C=N\C=C/C)CC(C)(C)C
InChIInChI=1S/C10H18N2/c1-5-6-12-8-9(11)7-10(2,3)4/h5-6,8,11H,7H2,1-4H3/b6-5-,11-9-,12-8+
InChIKeyHXXDXMMNVXTSSG-SBHSVQNDSA-N
MW166.27 g/mol
LogP3.05
Rot. Bonds3

About 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine

4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine (PubChem CID 118516099) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine.

Molecular Properties

Compound Name4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine
PubChem CID118516099
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine
SMILES[H]/N=C(\C=N\C=C/C)CC(C)(C)C
InChIInChI=1S/C10H18N2/c1-5-6-12-8-9(11)7-10(2,3)4/h5-6,8,11H,7H2,1-4H3/b6-5-,11-9-,12-8+
InChIKeyHXXDXMMNVXTSSG-SBHSVQNDSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
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 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine?
The IUPAC name of 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine (CID 118516099) is 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine.
What is the SMILES notation for 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine?
The canonical SMILES for 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine is [H]/N=C(\C=N\C=C/C)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine?
The InChIKey is HXXDXMMNVXTSSG-SBHSVQNDSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-12-8-9(11)7-10(2,3)4/h5-6,8,11H,7H2,1-4H3/b6-5-,11-9-,12-8+.
What are the key properties of 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine?
4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine has a molecular weight of 166.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-N-[(Z)-prop-1-enyl]pentane-1,2-diimine is sourced from PubChem (CID 118516099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).