3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium

C19H38N2O2P2+2 — CID 162769514

IUPAC3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
SMILESC=CC(=O)NCCC[P+](C)(C)CCC[P+](C)(C)CCCNC(=O)C=C
InChIInChI=1S/C19H36N2O2P2/c1-7-18(22)20-12-9-14-24(3,4)16-11-17-25(5,6)15-10-13-21-19(23)8-2/h7-8H,1-2,9-17H2,3-6H3/p+2
InChIKeyRTFQXILUEWDWMZ-UHFFFAOYSA-P
MW388.47 g/mol
LogP3.32
Rot. Bonds14

About 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium

3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium (PubChem CID 162769514) has the molecular formula C19H38N2O2P2+2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium.

Molecular Properties

Compound Name3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
PubChem CID162769514
Molecular FormulaC19H38N2O2P2+2
Molecular Weight388.47 g/mol
Exact Mass388.24
IUPAC Name3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
SMILESC=CC(=O)NCCC[P+](C)(C)CCC[P+](C)(C)CCCNC(=O)C=C
InChIInChI=1S/C19H36N2O2P2/c1-7-18(22)20-12-9-14-24(3,4)16-11-17-25(5,6)15-10-13-21-19(23)8-2/h7-8H,1-2,9-17H2,3-6H3/p+2
InChIKeyRTFQXILUEWDWMZ-UHFFFAOYSA-P
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-heptadecylprop-2-enamide
CID 20727742
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953
6-(prop-2-enoylamino)hexane-2-sulfonic acid
CID 87770315
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-[4-(dimethylamino)hexyl]prop-2-enamide
CID 22764760
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041
N-butylprop-2-enamide;hydrofluoride
CID 174533496
carbonic acid;N-hexylprop-2-enamide
CID 22445987

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium?
The IUPAC name of 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium (CID 162769514) is 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium.
What is the SMILES notation for 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium?
The canonical SMILES for 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium is C=CC(=O)NCCC[P+](C)(C)CCC[P+](C)(C)CCCNC(=O)C=C.
What is the InChIKey of 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium?
The InChIKey is RTFQXILUEWDWMZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H36N2O2P2/c1-7-18(22)20-12-9-14-24(3,4)16-11-17-25(5,6)15-10-13-21-19(23)8-2/h7-8H,1-2,9-17H2,3-6H3/p+2.
What are the key properties of 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium?
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium has a molecular weight of 388.47 g/mol, XLogP of 3.32, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium is sourced from PubChem (CID 162769514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).