4-ethylidenehept-5-en-3-imine

C9H15N — CID 123855505

IUPAC4-ethylidenehept-5-en-3-imine
SMILES[H]/N=C(\CC)C(C=CC)=CC
InChIInChI=1S/C9H15N/c1-4-7-8(5-2)9(10)6-3/h4-5,7,10H,6H2,1-3H3/b7-4?,8-5?,10-9+
InChIKeyNFHPXJXSJNZUQU-PMUBTYORSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds3

About 4-ethylidenehept-5-en-3-imine

4-ethylidenehept-5-en-3-imine (PubChem CID 123855505) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-ethylidenehept-5-en-3-imine.

Molecular Properties

Compound Name4-ethylidenehept-5-en-3-imine
PubChem CID123855505
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-ethylidenehept-5-en-3-imine
SMILES[H]/N=C(\CC)C(C=CC)=CC
InChIInChI=1S/C9H15N/c1-4-7-8(5-2)9(10)6-3/h4-5,7,10H,6H2,1-3H3/b7-4?,8-5?,10-9+
InChIKeyNFHPXJXSJNZUQU-PMUBTYORSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-hept-5-ene-3,4-diimine
CID 123802177
CID 90783980
CID 90783980
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
4-ethylhept-4-en-3-imine
CID 15439670
hex-1-ene-3,4-diimine
CID 123827973
(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
CID 156548687
ethane;(2E,4E,6E)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-N-methylidene-1-phenyl-7-[(Z)-prop-1-enyl]deca-2,4,6-triene-1,5,8-triimine;1,4-xylene
CID 144631867
N-[(Z)-prop-1-enyl]iminopropanimidamide
CID 144524020
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351

Frequently Asked Questions

What is the IUPAC name of 4-ethylidenehept-5-en-3-imine?
The IUPAC name of 4-ethylidenehept-5-en-3-imine (CID 123855505) is 4-ethylidenehept-5-en-3-imine.
What is the SMILES notation for 4-ethylidenehept-5-en-3-imine?
The canonical SMILES for 4-ethylidenehept-5-en-3-imine is [H]/N=C(\CC)C(C=CC)=CC.
What is the InChIKey of 4-ethylidenehept-5-en-3-imine?
The InChIKey is NFHPXJXSJNZUQU-PMUBTYORSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-8(5-2)9(10)6-3/h4-5,7,10H,6H2,1-3H3/b7-4?,8-5?,10-9+.
What are the key properties of 4-ethylidenehept-5-en-3-imine?
4-ethylidenehept-5-en-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenehept-5-en-3-imine is sourced from PubChem (CID 123855505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).