N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine

C9H16N2 — CID 123367431

IUPACN-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine
SMILESCCC/C=C/N=C/C=N/CC
InChIInChI=1S/C9H16N2/c1-3-5-6-7-11-9-8-10-4-2/h6-9H,3-5H2,1-2H3/b7-6+,10-8+,11-9+
InChIKeyRHKJBXQNOHRDBJ-WZJDGFINSA-N
MW152.24 g/mol
LogP2.46
Rot. Bonds5

About N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine

N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine (PubChem CID 123367431) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine
PubChem CID123367431
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine
SMILESCCC/C=C/N=C/C=N/CC
InChIInChI=1S/C9H16N2/c1-3-5-6-7-11-9-8-10-4-2/h6-9H,3-5H2,1-2H3/b7-6+,10-8+,11-9+
InChIKeyRHKJBXQNOHRDBJ-WZJDGFINSA-N
XLogP2.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(E)-pent-1-enyl]iminoprop-1-en-1-amine
CID 163673678
(E)-1-nitrosopent-1-ene
CID 148875645
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
[(E)-hex-2-enyl]phosphane
CID 88550946
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
1-fluoropent-1-ene
CID 54278285
hexadeca-4,12-diene
CID 71384995
tricosa-4,19-diene
CID 142680711
ethane;(E)-hex-2-ene
CID 142405633

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine?
The IUPAC name of N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine (CID 123367431) is N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine?
The canonical SMILES for N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine is CCC/C=C/N=C/C=N/CC.
What is the InChIKey of N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine?
The InChIKey is RHKJBXQNOHRDBJ-WZJDGFINSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-7-11-9-8-10-4-2/h6-9H,3-5H2,1-2H3/b7-6+,10-8+,11-9+.
What are the key properties of N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine?
N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(E)-pent-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 123367431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).