N-hept-2-en-3-ylethanimine

C9H17N — CID 23597524

IUPACN-hept-2-en-3-ylethanimine
SMILESCC=C(CCCC)/N=C/C
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5-6H,4,7-8H2,1-3H3/b9-5?,10-6+
InChIKeyDEWOXHMWOGACIM-HYAZYBELSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds4

About N-hept-2-en-3-ylethanimine

N-hept-2-en-3-ylethanimine (PubChem CID 23597524) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-hept-2-en-3-ylethanimine.

Molecular Properties

Compound NameN-hept-2-en-3-ylethanimine
PubChem CID23597524
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-hept-2-en-3-ylethanimine
SMILESCC=C(CCCC)/N=C/C
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5-6H,4,7-8H2,1-3H3/b9-5?,10-6+
InChIKeyDEWOXHMWOGACIM-HYAZYBELSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
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

(Z)-2-(ethylideneamino)hex-1-en-1-amine
CID 90227550
N'-[(Z)-oct-2-en-3-yl]ethanimidamide
CID 138509627
N-hept-3-en-4-ylethanimine
CID 123818491
(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
6-ethylidenehexadecane
CID 169207706
hept-2-en-3-ylphosphane
CID 90741921
(Z)-3-bromooct-2-ene
CID 13181431
(E)-3-methylnonadec-2-ene
CID 23160392
(E)-3-methyltridec-2-ene
CID 22000795
(Z)-pentadec-2-en-3-ol
CID 141060609
3-methyldec-2-ene
CID 550799
5,6-dibutyltetradec-5-ene
CID 19866346

Frequently Asked Questions

What is the IUPAC name of N-hept-2-en-3-ylethanimine?
The IUPAC name of N-hept-2-en-3-ylethanimine (CID 23597524) is N-hept-2-en-3-ylethanimine.
What is the SMILES notation for N-hept-2-en-3-ylethanimine?
The canonical SMILES for N-hept-2-en-3-ylethanimine is CC=C(CCCC)/N=C/C.
What is the InChIKey of N-hept-2-en-3-ylethanimine?
The InChIKey is DEWOXHMWOGACIM-HYAZYBELSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5-6H,4,7-8H2,1-3H3/b9-5?,10-6+.
What are the key properties of N-hept-2-en-3-ylethanimine?
N-hept-2-en-3-ylethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-2-en-3-ylethanimine is sourced from PubChem (CID 23597524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).