(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine

C20H30N2S — CID 143293072

IUPAC(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine
SMILESC/C=C(\C)CS/C=C(N)/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H30N2S/c1-7-16(6)12-23-13-17(21)11-22-20-18(14(2)3)9-8-10-19(20)15(4)5/h7-11,13-15H,12,21H2,1-6H3/b16-7+,17-13-,22-11+
InChIKeyDQFYIEIOAIROFX-CVLFTYHESA-N
MW330.54 g/mol
LogP6.14
Rot. Bonds7

About (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine

(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine (PubChem CID 143293072) has the molecular formula C20H30N2S and a molecular weight of 330.54 g/mol. Its IUPAC name is (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine
PubChem CID143293072
Molecular FormulaC20H30N2S
Molecular Weight330.54 g/mol
Exact Mass330.21
IUPAC Name(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine
SMILESC/C=C(\C)CS/C=C(N)/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H30N2S/c1-7-16(6)12-23-13-17(21)11-22-20-18(14(2)3)9-8-10-19(20)15(4)5/h7-11,13-15H,12,21H2,1-6H3/b16-7+,17-13-,22-11+
InChIKeyDQFYIEIOAIROFX-CVLFTYHESA-N
XLogP6.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
CID 59080028
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
CID 13230672
N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
CID 15909342
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
2-[6-[2-[2,6-di(propan-2-yl)phenyl]iminoethyl]-2-pyridinyl]-N-phenylethanimine
CID 126613675
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine?
The IUPAC name of (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine (CID 143293072) is (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine.
What is the SMILES notation for (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine?
The canonical SMILES for (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine is C/C=C(\C)CS/C=C(N)/C=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine?
The InChIKey is DQFYIEIOAIROFX-CVLFTYHESA-N. The full InChI is InChI=1S/C20H30N2S/c1-7-16(6)12-23-13-17(21)11-22-20-18(14(2)3)9-8-10-19(20)15(4)5/h7-11,13-15H,12,21H2,1-6H3/b16-7+,17-13-,22-11+.
What are the key properties of (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine?
(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine has a molecular weight of 330.54 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine is sourced from PubChem (CID 143293072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).