3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)

C15H43Cl3N4O4P2Y2 — CID 157187576

IUPAC3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)
SMILESC.C.CN(C)CCCO.CN(C)P1(=O)OCCCN1C.CNC.O=P(Cl)(Cl)Cl.[Y].[Y]
InChIInChI=1S/C6H15N2O2P.C5H13NO.C2H7N.2CH4.Cl3OP.2Y/c1-7(2)11(9)8(3)5-4-6-10-11;1-6(2)4-3-5-7;1-3-2;;;1-5(2,3)4;;/h4-6H2,1-3H3;7H,3-5H2,1-2H3;3H,1-2H3;2*1H4;;;
InChIKeyAPHKYUBWPJBOMP-UHFFFAOYSA-N
MW689.65 g/mol
LogP4.85
Rot. Bonds4

About 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)

3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium) (PubChem CID 157187576) has the molecular formula C15H43Cl3N4O4P2Y2 and a molecular weight of 689.65 g/mol. Its IUPAC name is 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium).

Molecular Properties

Compound Name3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)
PubChem CID157187576
Molecular FormulaC15H43Cl3N4O4P2Y2
Molecular Weight689.65 g/mol
Exact Mass687.99
IUPAC Name3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)
SMILESC.C.CN(C)CCCO.CN(C)P1(=O)OCCCN1C.CNC.O=P(Cl)(Cl)Cl.[Y].[Y]
InChIInChI=1S/C6H15N2O2P.C5H13NO.C2H7N.2CH4.Cl3OP.2Y/c1-7(2)11(9)8(3)5-4-6-10-11;1-6(2)4-3-5-7;1-3-2;;;1-5(2,3)4;;/h4-6H2,1-3H3;7H,3-5H2,1-2H3;3H,1-2H3;2*1H4;;;
InChIKeyAPHKYUBWPJBOMP-UHFFFAOYSA-N
XLogP4.85
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.65
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium) with MolForge

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Related Compounds

3-(dimethylamino)propan-1-ol;N-methylmethanamine;phosphorosomethane;bis(yttrium)
CID 159857454
CID 11431888
CID 11431888
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine
CID 91740850
N,3-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-methylethanamine
CID 70362725
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105897
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride
CID 157307366
1-[2-[3-(dimethylamino)propylamino]ethyl]imidazolidin-2-one
CID 28583715
2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
CID 57224817
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)?
The IUPAC name of 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium) (CID 157187576) is 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium).
What is the SMILES notation for 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)?
The canonical SMILES for 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium) is C.C.CN(C)CCCO.CN(C)P1(=O)OCCCN1C.CNC.O=P(Cl)(Cl)Cl.[Y].[Y].
What is the InChIKey of 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)?
The InChIKey is APHKYUBWPJBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O2P.C5H13NO.C2H7N.2CH4.Cl3OP.2Y/c1-7(2)11(9)8(3)5-4-6-10-11;1-6(2)4-3-5-7;1-3-2;;;1-5(2,3)4;;/h4-6H2,1-3H3;7H,3-5H2,1-2H3;3H,1-2H3;2*1H4;;;.
What are the key properties of 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium)?
3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium) has a molecular weight of 689.65 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propan-1-ol;methane;N-methylmethanamine;phosphoryl trichloride;N,N,3-trimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;bis(yttrium) is sourced from PubChem (CID 157187576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).