ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine

C14H22N2 — CID 166546337

IUPACethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine
SMILESCC.CC/N=C/C(=C\N)c1cccc(C)c1
InChIInChI=1S/C12H16N2.C2H6/c1-3-14-9-12(8-13)11-6-4-5-10(2)7-11;1-2/h4-9H,3,13H2,1-2H3;1-2H3/b12-8+,14-9+;
InChIKeyMMYPVMOAUHCLST-CVCCZAANSA-N
MW218.34 g/mol
LogP3.41
Rot. Bonds3

About ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine

ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine (PubChem CID 166546337) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine
PubChem CID166546337
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nameethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine
SMILESCC.CC/N=C/C(=C\N)c1cccc(C)c1
InChIInChI=1S/C12H16N2.C2H6/c1-3-14-9-12(8-13)11-6-4-5-10(2)7-11;1-2/h4-9H,3,13H2,1-2H3;1-2H3/b12-8+,14-9+;
InChIKeyMMYPVMOAUHCLST-CVCCZAANSA-N
XLogP3.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.41
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

(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 170714570
1-[(Z)-4-bromo-1-fluorobut-2-en-2-yl]-3-methylbenzene
CID 135071585
3-hydroxy-2-(3-methylphenyl)prop-2-enal
CID 5011730
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
ethane;propane;1,3-xylene
CID 144528046
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
ethane;1-methyl-3-[(2E,4E)-7-methylocta-2,4,6-trien-4-yl]benzene
CID 143291684
4,4-bis(3-methylphenyl)but-3-en-2-amine
CID 12821410
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine (CID 166546337) is ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine is CC.CC/N=C/C(=C\N)c1cccc(C)c1.
What is the InChIKey of ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine?
The InChIKey is MMYPVMOAUHCLST-CVCCZAANSA-N. The full InChI is InChI=1S/C12H16N2.C2H6/c1-3-14-9-12(8-13)11-6-4-5-10(2)7-11;1-2/h4-9H,3,13H2,1-2H3;1-2H3/b12-8+,14-9+;.
What are the key properties of ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine?
ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 166546337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).