(3Z)-3,5-dimethylhepta-3,6-dien-2-imine

C9H15N — CID 123185639

IUPAC(3Z)-3,5-dimethylhepta-3,6-dien-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(C)C=C
InChIInChI=1S/C9H15N/c1-5-7(2)6-8(3)9(4)10/h5-7,10H,1H2,2-4H3/b8-6-,10-9+
InChIKeyBGKVNHBTDCSDON-JWJWWGMXSA-N
MW137.23 g/mol
LogP2.79
Rot. Bonds3

About (3Z)-3,5-dimethylhepta-3,6-dien-2-imine

(3Z)-3,5-dimethylhepta-3,6-dien-2-imine (PubChem CID 123185639) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3Z)-3,5-dimethylhepta-3,6-dien-2-imine.

Molecular Properties

Compound Name(3Z)-3,5-dimethylhepta-3,6-dien-2-imine
PubChem CID123185639
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3Z)-3,5-dimethylhepta-3,6-dien-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(C)C=C
InChIInChI=1S/C9H15N/c1-5-7(2)6-8(3)9(4)10/h5-7,10H,1H2,2-4H3/b8-6-,10-9+
InChIKeyBGKVNHBTDCSDON-JWJWWGMXSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.79
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-Methyl-4-imino-2,5-cyclohexadiene
CID 12984282
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
(3Z)-4-methylhexa-3,5-dien-2-imine
CID 12661001
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
3-Methylpent-3-en-2-imine
CID 15835473
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,5-dimethylhepta-3,6-dien-2-imine?
The IUPAC name of (3Z)-3,5-dimethylhepta-3,6-dien-2-imine (CID 123185639) is (3Z)-3,5-dimethylhepta-3,6-dien-2-imine.
What is the SMILES notation for (3Z)-3,5-dimethylhepta-3,6-dien-2-imine?
The canonical SMILES for (3Z)-3,5-dimethylhepta-3,6-dien-2-imine is [H]/N=C(C)/C(C)=C\C(C)C=C.
What is the InChIKey of (3Z)-3,5-dimethylhepta-3,6-dien-2-imine?
The InChIKey is BGKVNHBTDCSDON-JWJWWGMXSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7(2)6-8(3)9(4)10/h5-7,10H,1H2,2-4H3/b8-6-,10-9+.
What are the key properties of (3Z)-3,5-dimethylhepta-3,6-dien-2-imine?
(3Z)-3,5-dimethylhepta-3,6-dien-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,5-dimethylhepta-3,6-dien-2-imine is sourced from PubChem (CID 123185639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).