3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine

C10H16N2 — CID 91216551

IUPAC3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine
SMILESC=CC(C/C=N/C)C(=C)/C=N/C
InChIInChI=1S/C10H16N2/c1-5-10(6-7-11-3)9(2)8-12-4/h5,7-8,10H,1-2,6H2,3-4H3/b11-7+,12-8+
InChIKeyIHAGNHQVNVHHBE-MKICQXMISA-N
MW164.25 g/mol
LogP2.14
Rot. Bonds5

About 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine

3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine (PubChem CID 91216551) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine.

Molecular Properties

Compound Name3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine
PubChem CID91216551
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine
SMILESC=CC(C/C=N/C)C(=C)/C=N/C
InChIInChI=1S/C10H16N2/c1-5-10(6-7-11-3)9(2)8-12-4/h5,7-8,10H,1-2,6H2,3-4H3/b11-7+,12-8+
InChIKeyIHAGNHQVNVHHBE-MKICQXMISA-N
XLogP2.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
2-ethyl-N,3-dimethylhex-5-en-1-imine
CID 91337610
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine
CID 123399431
N-(2-ethylbutyl)oct-7-en-1-imine
CID 123442282
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
N-(2,3-dimethylpent-1-enyl)prop-2-en-1-imine
CID 123719485
(Z)-N-[(E)-4,5-dimethylhept-1-enyl]-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 132151008
(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine
CID 134433392
(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine
CID 134594411
(E,7S)-N,7-dimethylnon-4-en-1-imine
CID 138508508
ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine
CID 142062948

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine?
The IUPAC name of 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine (CID 91216551) is 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine.
What is the SMILES notation for 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine?
The canonical SMILES for 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine is C=CC(C/C=N/C)C(=C)/C=N/C.
What is the InChIKey of 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine?
The InChIKey is IHAGNHQVNVHHBE-MKICQXMISA-N. The full InChI is InChI=1S/C10H16N2/c1-5-10(6-7-11-3)9(2)8-12-4/h5,7-8,10H,1-2,6H2,3-4H3/b11-7+,12-8+.
What are the key properties of 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine?
3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine is sourced from PubChem (CID 91216551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).