N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine

C18H25N2OP — CID 13384187

IUPACN-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)P(=O)(c1ccccc1)N(CC=C)CC=C
InChIInChI=1S/C18H25N2OP/c1-5-14-19(15-6-2)22(21,18-12-10-9-11-13-18)20(16-7-3)17-8-4/h5-13H,1-4,14-17H2
InChIKeyYWFUYEQWXJRISO-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.85
Rot. Bonds11

About N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine

N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 13384187) has the molecular formula C18H25N2OP and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID13384187
Molecular FormulaC18H25N2OP
Molecular Weight316.39 g/mol
Exact Mass316.17
IUPAC NameN-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)P(=O)(c1ccccc1)N(CC=C)CC=C
InChIInChI=1S/C18H25N2OP/c1-5-14-19(15-6-2)22(21,18-12-10-9-11-13-18)20(16-7-3)17-8-4/h5-13H,1-4,14-17H2
InChIKeyYWFUYEQWXJRISO-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 87635437
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
diphenylphosphorylbenzene;terbium
CID 86595283
[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
CID 149077573
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
[chloro-[(Z)-2-chloroethenyl]phosphoryl]benzene
CID 23260967
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
CID 163328185
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943

Frequently Asked Questions

What is the IUPAC name of N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine (CID 13384187) is N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)P(=O)(c1ccccc1)N(CC=C)CC=C.
What is the InChIKey of N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is YWFUYEQWXJRISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2OP/c1-5-14-19(15-6-2)22(21,18-12-10-9-11-13-18)20(16-7-3)17-8-4/h5-13H,1-4,14-17H2.
What are the key properties of N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine?
N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 316.39 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[bis(prop-2-enyl)amino]-phenylphosphoryl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 13384187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).