(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine

C9H18N2 — CID 146200228

IUPAC(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine
SMILESC=N/N=C(/C)CCC(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(11-10-5)6-7-9(2,3)4/h5-7H2,1-4H3/b11-8-
InChIKeyZJRCVBQVSHBRPO-FLIBITNWSA-N
MW154.26 g/mol
LogP2.89
Rot. Bonds3

About (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine

(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine (PubChem CID 146200228) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine.

Molecular Properties

Compound Name(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine
PubChem CID146200228
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine
SMILESC=N/N=C(/C)CCC(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(11-10-5)6-7-9(2,3)4/h5-7H2,1-4H3/b11-8-
InChIKeyZJRCVBQVSHBRPO-FLIBITNWSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine?
The IUPAC name of (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine (CID 146200228) is (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine.
What is the SMILES notation for (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine?
The canonical SMILES for (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine is C=N/N=C(/C)CCC(C)(C)C.
What is the InChIKey of (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine?
The InChIKey is ZJRCVBQVSHBRPO-FLIBITNWSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(11-10-5)6-7-9(2,3)4/h5-7H2,1-4H3/b11-8-.
What are the key properties of (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine?
(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine has a molecular weight of 154.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine is sourced from PubChem (CID 146200228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).