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

C9H17N — CID 91525775

IUPAC5,6-dimethylhept-6-en-1-imine
SMILES[H]/N=C/CCCC(C)C(=C)C
InChIInChI=1S/C9H17N/c1-8(2)9(3)6-4-5-7-10/h7,9-10H,1,4-6H2,2-3H3/b10-7+
InChIKeyUQMBZQMAKJMUDH-JXMROGBWSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds5

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

5,6-dimethylhept-6-en-1-imine (PubChem CID 91525775) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5,6-dimethylhept-6-en-1-imine.

Molecular Properties

Compound Name5,6-dimethylhept-6-en-1-imine
PubChem CID91525775
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5,6-dimethylhept-6-en-1-imine
SMILES[H]/N=C/CCCC(C)C(=C)C
InChIInChI=1S/C9H17N/c1-8(2)9(3)6-4-5-7-10/h7,9-10H,1,4-6H2,2-3H3/b10-7+
InChIKeyUQMBZQMAKJMUDH-JXMROGBWSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
CID 166735022
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
4-Methylideneheptan-1-imine
CID 123245757
3-Methyl-5-methylideneheptan-2-imine
CID 123288208
(3Z)-3-(2-ethylcyclohexylidene)propan-1-imine
CID 123302090
4-Ethyl-7-methyloct-7-en-1-imine
CID 123335226
3,5-Dimethyl-2-methylidenehexan-1-imine
CID 123392141
2-Propylpent-4-en-1-imine
CID 123447448
4-(1-Ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine
CID 123797988

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylhept-6-en-1-imine?
The IUPAC name of 5,6-dimethylhept-6-en-1-imine (CID 91525775) is 5,6-dimethylhept-6-en-1-imine.
What is the SMILES notation for 5,6-dimethylhept-6-en-1-imine?
The canonical SMILES for 5,6-dimethylhept-6-en-1-imine is [H]/N=C/CCCC(C)C(=C)C.
What is the InChIKey of 5,6-dimethylhept-6-en-1-imine?
The InChIKey is UQMBZQMAKJMUDH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)9(3)6-4-5-7-10/h7,9-10H,1,4-6H2,2-3H3/b10-7+.
What are the key properties of 5,6-dimethylhept-6-en-1-imine?
5,6-dimethylhept-6-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylhept-6-en-1-imine is sourced from PubChem (CID 91525775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).