(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine

C18H22NOP — CID 91998631

IUPAC(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
SMILESCC(C)(C)/C(N)=C/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c1-18(2,3)17(19)14-21(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,19H2,1-3H3/b17-14-
InChIKeyGEHDBMWXNCAFFF-VKAVYKQESA-N
MW299.35 g/mol
LogP3.85
Rot. Bonds3

About (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine

(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine (PubChem CID 91998631) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
PubChem CID91998631
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
SMILESCC(C)(C)/C(N)=C/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c1-18(2,3)17(19)14-21(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,19H2,1-3H3/b17-14-
InChIKeyGEHDBMWXNCAFFF-VKAVYKQESA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butylbenzene;diphenylphosphorylformaldehyde
CID 174403578
[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
CID 71360809
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
[[(1E)-2-iodo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene
CID 71536319
[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene
CID 71536318
(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
CID 10063472
[[(1E)-2,5-dimethylhexa-1,5-dien-3-ynyl]-phenylphosphoryl]benzene
CID 11055886
N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline
CID 11782978
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine (CID 91998631) is (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine is CC(C)(C)/C(N)=C/P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine?
The InChIKey is GEHDBMWXNCAFFF-VKAVYKQESA-N. The full InChI is InChI=1S/C18H22NOP/c1-18(2,3)17(19)14-21(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,19H2,1-3H3/b17-14-.
What are the key properties of (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine?
(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine has a molecular weight of 299.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 91998631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).