(Z)-3-methylhept-3-en-2-imine

C8H15N — CID 90869422

IUPAC(Z)-3-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C\CCC
InChIInChI=1S/C8H15N/c1-4-5-6-7(2)8(3)9/h6,9H,4-5H2,1-3H3/b7-6-,9-8+
InChIKeySJYXEFVZFYTHHX-NMMTYZSQSA-N
MW125.21 g/mol
LogP2.77
Rot. Bonds3

About (Z)-3-methylhept-3-en-2-imine

(Z)-3-methylhept-3-en-2-imine (PubChem CID 90869422) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (Z)-3-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-methylhept-3-en-2-imine
PubChem CID90869422
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(Z)-3-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C\CCC
InChIInChI=1S/C8H15N/c1-4-5-6-7(2)8(3)9/h6,9H,4-5H2,1-3H3/b7-6-,9-8+
InChIKeySJYXEFVZFYTHHX-NMMTYZSQSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.77
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

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
3-Methyl-2-cyclopentenimine
CID 91232431
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(E)-5-fluorohex-4-en-3-imine
CID 91325186
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
2-Fluoro-5-methylhexa-1,4-dien-3-imine
CID 123879479
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylhept-3-en-2-imine?
The IUPAC name of (Z)-3-methylhept-3-en-2-imine (CID 90869422) is (Z)-3-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-3-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-3-methylhept-3-en-2-imine is [H]/N=C(C)/C(C)=C\CCC.
What is the InChIKey of (Z)-3-methylhept-3-en-2-imine?
The InChIKey is SJYXEFVZFYTHHX-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-6-7(2)8(3)9/h6,9H,4-5H2,1-3H3/b7-6-,9-8+.
What are the key properties of (Z)-3-methylhept-3-en-2-imine?
(Z)-3-methylhept-3-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylhept-3-en-2-imine is sourced from PubChem (CID 90869422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).