N-ethyl-3-ethylidenehexan-2-imine

C10H19N — CID 91288958

IUPACN-ethyl-3-ethylidenehexan-2-imine
SMILESCC=C(CCC)/C(C)=N/CC
InChIInChI=1S/C10H19N/c1-5-8-10(6-2)9(4)11-7-3/h6H,5,7-8H2,1-4H3/b10-6?,11-9+
InChIKeySRVUHQWHDIZUNF-XOBLEPENSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds4

About N-ethyl-3-ethylidenehexan-2-imine

N-ethyl-3-ethylidenehexan-2-imine (PubChem CID 91288958) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-ethyl-3-ethylidenehexan-2-imine.

Molecular Properties

Compound NameN-ethyl-3-ethylidenehexan-2-imine
PubChem CID91288958
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-ethyl-3-ethylidenehexan-2-imine
SMILESCC=C(CCC)/C(C)=N/CC
InChIInChI=1S/C10H19N/c1-5-8-10(6-2)9(4)11-7-3/h6H,5,7-8H2,1-4H3/b10-6?,11-9+
InChIKeySRVUHQWHDIZUNF-XOBLEPENSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10087332
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(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-ethylidenehexan-2-imine?
The IUPAC name of N-ethyl-3-ethylidenehexan-2-imine (CID 91288958) is N-ethyl-3-ethylidenehexan-2-imine.
What is the SMILES notation for N-ethyl-3-ethylidenehexan-2-imine?
The canonical SMILES for N-ethyl-3-ethylidenehexan-2-imine is CC=C(CCC)/C(C)=N/CC.
What is the InChIKey of N-ethyl-3-ethylidenehexan-2-imine?
The InChIKey is SRVUHQWHDIZUNF-XOBLEPENSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-10(6-2)9(4)11-7-3/h6H,5,7-8H2,1-4H3/b10-6?,11-9+.
What are the key properties of N-ethyl-3-ethylidenehexan-2-imine?
N-ethyl-3-ethylidenehexan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-ethylidenehexan-2-imine is sourced from PubChem (CID 91288958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).