5,6-dimethylhept-2-en-4-imine

C9H17N — CID 123523897

IUPAC5,6-dimethylhept-2-en-4-imine
SMILES[H]/N=C(\C=CC)C(C)C(C)C
InChIInChI=1S/C9H17N/c1-5-6-9(10)8(4)7(2)3/h5-8,10H,1-4H3/b6-5?,10-9+
InChIKeyKDYSNTPRKIFESC-ZFZICBQDSA-N
MW139.24 g/mol
LogP2.87
Rot. Bonds3

About 5,6-dimethylhept-2-en-4-imine

5,6-dimethylhept-2-en-4-imine (PubChem CID 123523897) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5,6-dimethylhept-2-en-4-imine.

Molecular Properties

Compound Name5,6-dimethylhept-2-en-4-imine
PubChem CID123523897
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5,6-dimethylhept-2-en-4-imine
SMILES[H]/N=C(\C=CC)C(C)C(C)C
InChIInChI=1S/C9H17N/c1-5-6-9(10)8(4)7(2)3/h5-8,10H,1-4H3/b6-5?,10-9+
InChIKeyKDYSNTPRKIFESC-ZFZICBQDSA-N
XLogP2.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iminohex-4-en-2-yl acetate
CID 123933445
(Z)-6-methylhept-2-en-4-imine
CID 91390862
4,5-dimethylhexan-3-imine
CID 123589551
2,3,6-trimethyloctan-4-imine
CID 123559173
(Z)-but-2-enimidoyl cyanide
CID 123741154
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
1-N,3-dimethylbutane-1,2-diimine
CID 123957798
3-fluorobutane-1,2-diimine
CID 171535036
1-[(E)-2-oxopent-3-enylidene]guanidine
CID 123227345
(2Z,4E)-6-methylhepta-2,4-dien-4-ol
CID 88856291
(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
CID 170199054
(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylhept-2-en-4-imine?
The IUPAC name of 5,6-dimethylhept-2-en-4-imine (CID 123523897) is 5,6-dimethylhept-2-en-4-imine.
What is the SMILES notation for 5,6-dimethylhept-2-en-4-imine?
The canonical SMILES for 5,6-dimethylhept-2-en-4-imine is [H]/N=C(\C=CC)C(C)C(C)C.
What is the InChIKey of 5,6-dimethylhept-2-en-4-imine?
The InChIKey is KDYSNTPRKIFESC-ZFZICBQDSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-9(10)8(4)7(2)3/h5-8,10H,1-4H3/b6-5?,10-9+.
What are the key properties of 5,6-dimethylhept-2-en-4-imine?
5,6-dimethylhept-2-en-4-imine has a molecular weight of 139.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylhept-2-en-4-imine is sourced from PubChem (CID 123523897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).