ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline

C15H22N2 — CID 142559524

IUPACethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline
SMILESC=C(C)/N=C/C=C(\C)c1cccc(N)c1.CC
InChIInChI=1S/C13H16N2.C2H6/c1-10(2)15-8-7-11(3)12-5-4-6-13(14)9-12;1-2/h4-9H,1,14H2,2-3H3;1-2H3/b11-7+,15-8+;
InChIKeyKRQRPFVYCZKWHX-KOKOHNTPSA-N
MW230.35 g/mol
LogP4.30
Rot. Bonds3

About ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline

ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline (PubChem CID 142559524) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline.

Molecular Properties

Compound Nameethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline
PubChem CID142559524
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nameethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline
SMILESC=C(C)/N=C/C=C(\C)c1cccc(N)c1.CC
InChIInChI=1S/C13H16N2.C2H6/c1-10(2)15-8-7-11(3)12-5-4-6-13(14)9-12;1-2/h4-9H,1,14H2,2-3H3;1-2H3/b11-7+,15-8+;
InChIKeyKRQRPFVYCZKWHX-KOKOHNTPSA-N
XLogP4.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 143736300
3-(1-methoxyethenyl)aniline
CID 89340134
fluoromethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]aniline
CID 144557554
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
1-(3-aminophenyl)-3-methylbut-2-en-1-one
CID 59174685
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
3-[1-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]sulfanylethenyl]aniline
CID 143844903
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-phenylmethanone
CID 17817
3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline
CID 138613131
aniline;ethane;2-methylprop-1-ene
CID 123218647
N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
CID 142492833

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline?
The IUPAC name of ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline (CID 142559524) is ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline.
What is the SMILES notation for ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline?
The canonical SMILES for ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline is C=C(C)/N=C/C=C(\C)c1cccc(N)c1.CC.
What is the InChIKey of ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline?
The InChIKey is KRQRPFVYCZKWHX-KOKOHNTPSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-10(2)15-8-7-11(3)12-5-4-6-13(14)9-12;1-2/h4-9H,1,14H2,2-3H3;1-2H3/b11-7+,15-8+;.
What are the key properties of ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline?
ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline has a molecular weight of 230.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(E)-4-prop-1-en-2-yliminobut-2-en-2-yl]aniline is sourced from PubChem (CID 142559524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).