(Z)-2-ethylhept-2-en-1-imine

C9H17N — CID 146336575

IUPAC(Z)-2-ethylhept-2-en-1-imine
SMILES[H]/N=C/C(=C\CCCC)CC
InChIInChI=1S/C9H17N/c1-3-5-6-7-9(4-2)8-10/h7-8,10H,3-6H2,1-2H3/b9-7-,10-8+
InChIKeyRDOWGCFQVJMXHV-FKJILZIQSA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds5

About (Z)-2-ethylhept-2-en-1-imine

(Z)-2-ethylhept-2-en-1-imine (PubChem CID 146336575) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-2-ethylhept-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-ethylhept-2-en-1-imine
PubChem CID146336575
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-2-ethylhept-2-en-1-imine
SMILES[H]/N=C/C(=C\CCCC)CC
InChIInChI=1S/C9H17N/c1-3-5-6-7-9(4-2)8-10/h7-8,10H,3-6H2,1-2H3/b9-7-,10-8+
InChIKeyRDOWGCFQVJMXHV-FKJILZIQSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-bromohept-2-en-1-imine
CID 166655516
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978
(E)-8-(ethylamino)-6-methanimidoyl-8-oxooct-5-enoic acid
CID 163932600
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
2-pentylideneoctanal
CID 57053473
(Z)-6-ethylundec-5-ene
CID 102395453
5-butyldec-5-ene
CID 15367252
ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene
CID 176571017
5-ethyltetradeca-4,6-diene
CID 91339198
(E)-3-fluoro-5-methanimidoylhept-4-enal
CID 146922916
(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine
CID 163302570

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylhept-2-en-1-imine?
The IUPAC name of (Z)-2-ethylhept-2-en-1-imine (CID 146336575) is (Z)-2-ethylhept-2-en-1-imine.
What is the SMILES notation for (Z)-2-ethylhept-2-en-1-imine?
The canonical SMILES for (Z)-2-ethylhept-2-en-1-imine is [H]/N=C/C(=C\CCCC)CC.
What is the InChIKey of (Z)-2-ethylhept-2-en-1-imine?
The InChIKey is RDOWGCFQVJMXHV-FKJILZIQSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-6-7-9(4-2)8-10/h7-8,10H,3-6H2,1-2H3/b9-7-,10-8+.
What are the key properties of (Z)-2-ethylhept-2-en-1-imine?
(Z)-2-ethylhept-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylhept-2-en-1-imine is sourced from PubChem (CID 146336575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).