2,6-dimethylhept-5-en-1-imine

C9H17N — CID 123800628

IUPAC2,6-dimethylhept-5-en-1-imine
SMILES[H]/N=C/C(C)CCC=C(C)C
InChIInChI=1S/C9H17N/c1-8(2)5-4-6-9(3)7-10/h5,7,9-10H,4,6H2,1-3H3/b10-7+
InChIKeyJZLRUKSWBWDYJI-JXMROGBWSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds4

About 2,6-dimethylhept-5-en-1-imine

2,6-dimethylhept-5-en-1-imine (PubChem CID 123800628) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,6-dimethylhept-5-en-1-imine.

Molecular Properties

Compound Name2,6-dimethylhept-5-en-1-imine
PubChem CID123800628
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,6-dimethylhept-5-en-1-imine
SMILES[H]/N=C/C(C)CCC=C(C)C
InChIInChI=1S/C9H17N/c1-8(2)5-4-6-9(3)7-10/h5,7,9-10H,4,6H2,1-3H3/b10-7+
InChIKeyJZLRUKSWBWDYJI-JXMROGBWSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-[(E)-(2-isopropyl-5-methyl-hex-4-enylidene)amino]guanidine
CID 9573054
(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine
CID 11019093
(E)-6,6,6-trifluoro-5-methyl-2-propylhex-4-en-1-imine
CID 89708392
(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
CID 126497184
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
2-Methyldec-3-en-1-imine
CID 57110449
N-(2,6-dimethylhept-5-enylidene)hydroxylamine
CID 85369167
6-Ethylideneundecan-1-imine
CID 87825837
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhept-5-en-1-imine?
The IUPAC name of 2,6-dimethylhept-5-en-1-imine (CID 123800628) is 2,6-dimethylhept-5-en-1-imine.
What is the SMILES notation for 2,6-dimethylhept-5-en-1-imine?
The canonical SMILES for 2,6-dimethylhept-5-en-1-imine is [H]/N=C/C(C)CCC=C(C)C.
What is the InChIKey of 2,6-dimethylhept-5-en-1-imine?
The InChIKey is JZLRUKSWBWDYJI-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)5-4-6-9(3)7-10/h5,7,9-10H,4,6H2,1-3H3/b10-7+.
What are the key properties of 2,6-dimethylhept-5-en-1-imine?
2,6-dimethylhept-5-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhept-5-en-1-imine is sourced from PubChem (CID 123800628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).