ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine

C13H28N2 — CID 142531422

IUPACethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\C.CC.CCNC(C)C
InChIInChI=1S/C6H9N.C5H13N.C2H6/c1-3-5-7-6-4-2;1-4-6-5(2)3;1-2/h3-6H,1H2,2H3;5-6H,4H2,1-3H3;1-2H3/b6-4-,7-5+;;
InChIKeyOCUZEEVXNTWORF-YVCKSLIESA-N
MW212.38 g/mol
LogP3.81
Rot. Bonds4

About ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine

ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 142531422) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Nameethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID142531422
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\C.CC.CCNC(C)C
InChIInChI=1S/C6H9N.C5H13N.C2H6/c1-3-5-7-6-4-2;1-4-6-5(2)3;1-2/h3-6H,1H2,2H3;5-6H,4H2,1-3H3;1-2H3/b6-4-,7-5+;;
InChIKeyOCUZEEVXNTWORF-YVCKSLIESA-N
XLogP3.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Penta-1,3-diene, 1-ethylamino-5-ethylimino-
CID 74051061
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
2-methyl-2,3-dihydro-1H-1,4-diazepine
CID 12462157
3-[Di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium
CID 58911998
(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529658
(2S,12S,15Z)-2,12-dimethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529660
(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529661
2-methyl-1H-1,4-diazepine
CID 67973247
1,4,7,10,13-Pentazacyclohexadeca-13,15-diene
CID 72317546
N-[(Z)-2-(prop-2-enylideneamino)ethenyl]propan-2-amine
CID 88918621

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 142531422) is ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C/C=N/C=C\C.CC.CCNC(C)C.
What is the InChIKey of ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is OCUZEEVXNTWORF-YVCKSLIESA-N. The full InChI is InChI=1S/C6H9N.C5H13N.C2H6/c1-3-5-7-6-4-2;1-4-6-5(2)3;1-2/h3-6H,1H2,2H3;5-6H,4H2,1-3H3;1-2H3/b6-4-,7-5+;;.
What are the key properties of ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 212.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylpropan-2-amine;N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 142531422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).