bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane

C20H54Br2N6O2P2Sn — CID 134905059

IUPACbis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane
SMILESCCCC[Sn](Br)(Br)CCCC.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/2C6H18N3OP.2C4H9.2BrH.Sn/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3-4-2;;;/h2*1-6H3;2*1,3-4H2,2H3;2*1H;/q;;;;;;+2/p-2
InChIKeyDIIKXSMORXOACG-UHFFFAOYSA-L
MW751.16 g/mol
LogP6.38
Rot. Bonds12

About bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane

bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane (PubChem CID 134905059) has the molecular formula C20H54Br2N6O2P2Sn and a molecular weight of 751.16 g/mol. Its IUPAC name is bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane.

Molecular Properties

Compound Namebis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane
PubChem CID134905059
Molecular FormulaC20H54Br2N6O2P2Sn
Molecular Weight751.16 g/mol
Exact Mass750.12
IUPAC Namebis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane
SMILESCCCC[Sn](Br)(Br)CCCC.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/2C6H18N3OP.2C4H9.2BrH.Sn/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3-4-2;;;/h2*1-6H3;2*1,3-4H2,2H3;2*1H;/q;;;;;;+2/p-2
InChIKeyDIIKXSMORXOACG-UHFFFAOYSA-L
XLogP6.38
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.16
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane
CID 175509277
dibromo(dibutyl)stannane;dibromo(dimethyl)stannane
CID 88779417
tribromo(butyl)stannane;dihydrate
CID 87907152
N-[dimethylamino(pentyl)phosphoryl]-N-methylmethanamine
CID 14744080
[dibutyl(diethoxyphosphoryloxy)stannyl] diethyl phosphate
CID 16683542
tetrabutylstannane
CID 160899301
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
CID 177387685
tetrabutylstannane;hydrate
CID 87560971
N-(2-bromoethyl)-N-methylnonan-1-amine
CID 80673731
acetic acid;1-[acetyl(dibutyl)stannyl]ethanone
CID 162317403
(Z)-N-[bis(dimethylamino)phosphoryl]-N-methylhex-2-en-3-amine
CID 101233901

Frequently Asked Questions

What is the IUPAC name of bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane?
The IUPAC name of bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane (CID 134905059) is bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane.
What is the SMILES notation for bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane?
The canonical SMILES for bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane is CCCC[Sn](Br)(Br)CCCC.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.
What is the InChIKey of bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane?
The InChIKey is DIIKXSMORXOACG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H18N3OP.2C4H9.2BrH.Sn/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3-4-2;;;/h2*1-6H3;2*1,3-4H2,2H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane?
bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane has a molecular weight of 751.16 g/mol, XLogP of 6.38, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane is sourced from PubChem (CID 134905059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).