(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane

C26H43NO — CID 153344723

IUPAC(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane
SMILESC=C(O)/C(N)=c1\c(=C)c2ccccc2c(=C/C)/c1=C\C.CC.CC.CC.CC
InChIInChI=1S/C18H19NO.4C2H6/c1-5-13-14(6-2)17(18(19)12(4)20)11(3)15-9-7-8-10-16(13)15;4*1-2/h5-10,20H,3-4,19H2,1-2H3;4*1-2H3/b13-5+,14-6+,18-17-;;;;
InChIKeyHBIABFOMJAPOIH-ALWVOPHPSA-N
MW385.64 g/mol
LogP5.09
Rot. Bonds1

About (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane

(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane (PubChem CID 153344723) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane.

Molecular Properties

Compound Name(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane
PubChem CID153344723
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC Name(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane
SMILESC=C(O)/C(N)=c1\c(=C)c2ccccc2c(=C/C)/c1=C\C.CC.CC.CC.CC
InChIInChI=1S/C18H19NO.4C2H6/c1-5-13-14(6-2)17(18(19)12(4)20)11(3)15-9-7-8-10-16(13)15;4*1-2/h5-10,20H,3-4,19H2,1-2H3;4*1-2H3/b13-5+,14-6+,18-17-;;;;
InChIKeyHBIABFOMJAPOIH-ALWVOPHPSA-N
XLogP5.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol
CID 143606087
(3E)-5-amino-6-methylhepta-1,3,5-trien-4-ol;ethane;toluene
CID 145556784
(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol
CID 146281426
(3E)-4-amino-3,5-dimethylhexa-1,3,5-trien-2-ol;ethane;1-ethyl-4-methylbenzene;2-methylhex-1-ene
CID 164855707
(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol
CID 153344724

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane?
The IUPAC name of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane (CID 153344723) is (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane.
What is the SMILES notation for (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane?
The canonical SMILES for (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane is C=C(O)/C(N)=c1\c(=C)c2ccccc2c(=C/C)/c1=C\C.CC.CC.CC.CC.
What is the InChIKey of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane?
The InChIKey is HBIABFOMJAPOIH-ALWVOPHPSA-N. The full InChI is InChI=1S/C18H19NO.4C2H6/c1-5-13-14(6-2)17(18(19)12(4)20)11(3)15-9-7-8-10-16(13)15;4*1-2/h5-10,20H,3-4,19H2,1-2H3;4*1-2H3/b13-5+,14-6+,18-17-;;;;.
What are the key properties of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane?
(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane has a molecular weight of 385.64 g/mol, XLogP of 5.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane is sourced from PubChem (CID 153344723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).