ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene

C15H30N2 — CID 170732049

IUPACethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene
SMILESC=CC.CC.[H]/N=C/C(=C(C)C)/C(CC)=N/CC
InChIInChI=1S/C10H18N2.C3H6.C2H6/c1-5-10(12-6-2)9(7-11)8(3)4;1-3-2;1-2/h7,11H,5-6H2,1-4H3;3H,1H2,2H3;1-2H3/b11-7+,12-10+;;
InChIKeySZXVYKDQMGQMRH-OGZWAGIISA-N
MW238.42 g/mol
LogP5.06
Rot. Bonds4

About ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene

ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene (PubChem CID 170732049) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene.

Molecular Properties

Compound Nameethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene
PubChem CID170732049
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene
SMILESC=CC.CC.[H]/N=C/C(=C(C)C)/C(CC)=N/CC
InChIInChI=1S/C10H18N2.C3H6.C2H6/c1-5-10(12-6-2)9(7-11)8(3)4;1-3-2;1-2/h7,11H,5-6H2,1-4H3;3H,1H2,2H3;1-2H3/b11-7+,12-10+;;
InChIKeySZXVYKDQMGQMRH-OGZWAGIISA-N
XLogP5.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
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

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
1-(2-Ethylpyrrol-2-yl)ethanimine
CID 57211117
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
4-methyl-2H-pyridin-3-imine
CID 89382802
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
(5Z)-5-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-2-methylcyclopent-2-en-1-imine
CID 89697525
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine
CID 90128358
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene?
The IUPAC name of ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene (CID 170732049) is ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene.
What is the SMILES notation for ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene?
The canonical SMILES for ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene is C=CC.CC.[H]/N=C/C(=C(C)C)/C(CC)=N/CC.
What is the InChIKey of ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene?
The InChIKey is SZXVYKDQMGQMRH-OGZWAGIISA-N. The full InChI is InChI=1S/C10H18N2.C3H6.C2H6/c1-5-10(12-6-2)9(7-11)8(3)4;1-3-2;1-2/h7,11H,5-6H2,1-4H3;3H,1H2,2H3;1-2H3/b11-7+,12-10+;;.
What are the key properties of ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene?
ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene has a molecular weight of 238.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene is sourced from PubChem (CID 170732049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).