azane;5,5-dimethylhept-6-en-2-imine

C9H20N2 — CID 146447390

IUPACazane;5,5-dimethylhept-6-en-2-imine
SMILESN.[H]/N=C(\C)CCC(C)(C)C=C
InChIInChI=1S/C9H17N.H3N/c1-5-9(3,4)7-6-8(2)10;/h5,10H,1,6-7H2,2-4H3;1H3/b10-8+;
InChIKeyZMZHGHWXIWPMLP-VRTOBVRTSA-N
MW156.27 g/mol
LogP3.18
Rot. Bonds4

About azane;5,5-dimethylhept-6-en-2-imine

azane;5,5-dimethylhept-6-en-2-imine (PubChem CID 146447390) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is azane;5,5-dimethylhept-6-en-2-imine.

Molecular Properties

Compound Nameazane;5,5-dimethylhept-6-en-2-imine
PubChem CID146447390
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameazane;5,5-dimethylhept-6-en-2-imine
SMILESN.[H]/N=C(\C)CCC(C)(C)C=C
InChIInChI=1S/C9H17N.H3N/c1-5-9(3,4)7-6-8(2)10;/h5,10H,1,6-7H2,2-4H3;1H3/b10-8+;
InChIKeyZMZHGHWXIWPMLP-VRTOBVRTSA-N
XLogP3.18
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.18
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

5,5-dimethylhept-6-en-2-imine
CID 146447391
3-iminobutan-1-ol
CID 54468047
5-methylhept-5-en-2-imine
CID 123766869
4-methylhept-6-en-2-imine
CID 123395995
8,8-dimethylnon-5-yn-2-imine
CID 161421219
1-ethenylsulfanylpropan-2-imine
CID 123745531
8-methylnon-8-en-2-imine
CID 163908836
3,3,6,6,9,9-hexamethyldeca-1,7-diene
CID 123209288
(E)-hex-4-en-2-imine
CID 15835471
3-iminobutanimidoyl bromide
CID 118688687
4-imino-N-methylpentan-1-amine
CID 146836527
3,3,6-trimethyloct-1-ene
CID 123906537

Frequently Asked Questions

What is the IUPAC name of azane;5,5-dimethylhept-6-en-2-imine?
The IUPAC name of azane;5,5-dimethylhept-6-en-2-imine (CID 146447390) is azane;5,5-dimethylhept-6-en-2-imine.
What is the SMILES notation for azane;5,5-dimethylhept-6-en-2-imine?
The canonical SMILES for azane;5,5-dimethylhept-6-en-2-imine is N.[H]/N=C(\C)CCC(C)(C)C=C.
What is the InChIKey of azane;5,5-dimethylhept-6-en-2-imine?
The InChIKey is ZMZHGHWXIWPMLP-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H17N.H3N/c1-5-9(3,4)7-6-8(2)10;/h5,10H,1,6-7H2,2-4H3;1H3/b10-8+;.
What are the key properties of azane;5,5-dimethylhept-6-en-2-imine?
azane;5,5-dimethylhept-6-en-2-imine has a molecular weight of 156.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5,5-dimethylhept-6-en-2-imine is sourced from PubChem (CID 146447390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).