4-ethylhept-4-en-3-imine

C9H17N — CID 15439670

IUPAC4-ethylhept-4-en-3-imine
SMILES[H]/N=C(\CC)C(=CCC)CC
InChIInChI=1S/C9H17N/c1-4-7-8(5-2)9(10)6-3/h7,10H,4-6H2,1-3H3/b8-7?,10-9+
InChIKeyIGJIAECUYVNIAX-IPBYNONMSA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds4

About 4-ethylhept-4-en-3-imine

4-ethylhept-4-en-3-imine (PubChem CID 15439670) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethylhept-4-en-3-imine.

Molecular Properties

Compound Name4-ethylhept-4-en-3-imine
PubChem CID15439670
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethylhept-4-en-3-imine
SMILES[H]/N=C(\CC)C(=CCC)CC
InChIInChI=1S/C9H17N/c1-4-7-8(5-2)9(10)6-3/h7,10H,4-6H2,1-3H3/b8-7?,10-9+
InChIKeyIGJIAECUYVNIAX-IPBYNONMSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.16
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

(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
hex-1-ene-3,4-diimine
CID 123827973
4-ethylidenehept-5-en-3-imine
CID 123855505
(Z)-hept-5-ene-3,4-diimine
CID 123802177
(Z)-3-iminodec-7-en-2-one
CID 88953848
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
(3E)-4,5-diethyl-3-methylocta-3,5-diene
CID 177392268
(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
CID 15329333
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
2-iminohexanoic acid
CID 54447751
(E)-5-pyrrol-1-yloct-5-en-4-imine
CID 91443768
(Z)-4-ethyl-2-methyloct-4-en-3-imine
CID 176962442

Frequently Asked Questions

What is the IUPAC name of 4-ethylhept-4-en-3-imine?
The IUPAC name of 4-ethylhept-4-en-3-imine (CID 15439670) is 4-ethylhept-4-en-3-imine.
What is the SMILES notation for 4-ethylhept-4-en-3-imine?
The canonical SMILES for 4-ethylhept-4-en-3-imine is [H]/N=C(\CC)C(=CCC)CC.
What is the InChIKey of 4-ethylhept-4-en-3-imine?
The InChIKey is IGJIAECUYVNIAX-IPBYNONMSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-8(5-2)9(10)6-3/h7,10H,4-6H2,1-3H3/b8-7?,10-9+.
What are the key properties of 4-ethylhept-4-en-3-imine?
4-ethylhept-4-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhept-4-en-3-imine is sourced from PubChem (CID 15439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).