N-ethylhept-1-en-3-imine

C9H17N — CID 123943938

IUPACN-ethylhept-1-en-3-imine
SMILESC=C/C(CCCC)=N\CC
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyCQWIFTNIAUYFHS-MDZDMXLPSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds5

About N-ethylhept-1-en-3-imine

N-ethylhept-1-en-3-imine (PubChem CID 123943938) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethylhept-1-en-3-imine.

Molecular Properties

Compound NameN-ethylhept-1-en-3-imine
PubChem CID123943938
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethylhept-1-en-3-imine
SMILESC=C/C(CCCC)=N\CC
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyCQWIFTNIAUYFHS-MDZDMXLPSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
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

N-methyl-methyl-3-pentenylidenimine
CID 123242629
N-methylpent-1-en-3-imine
CID 21718389
Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666
N-butylcyclohex-2-en-1-imine;pentane
CID 70620704
N-methylhept-6-en-3-imine
CID 85546229
ethane;N-methylcyclohex-2-en-1-imine
CID 90847899
N-methyloct-2-en-4-imine
CID 91039645
N-methylhept-6-en-2-imine
CID 91486041
2-Ethenyl-1-azacycloundecene
CID 118247983
N-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N-ethyloct-1-en-3-imine
CID 123343256
2-methyl-N-propylhex-1-en-3-imine
CID 123390647

Frequently Asked Questions

What is the IUPAC name of N-ethylhept-1-en-3-imine?
The IUPAC name of N-ethylhept-1-en-3-imine (CID 123943938) is N-ethylhept-1-en-3-imine.
What is the SMILES notation for N-ethylhept-1-en-3-imine?
The canonical SMILES for N-ethylhept-1-en-3-imine is C=C/C(CCCC)=N\CC.
What is the InChIKey of N-ethylhept-1-en-3-imine?
The InChIKey is CQWIFTNIAUYFHS-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5H,2,4,6-8H2,1,3H3/b10-9+.
What are the key properties of N-ethylhept-1-en-3-imine?
N-ethylhept-1-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhept-1-en-3-imine is sourced from PubChem (CID 123943938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).