1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride

C9H27Cl3N3OP — CID 12717840

IUPAC1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride
SMILESCN(C)CP(=O)(CN(C)C)CN(C)C.Cl.Cl.Cl
InChIInChI=1S/C9H24N3OP.3ClH/c1-10(2)7-14(13,8-11(3)4)9-12(5)6;;;/h7-9H2,1-6H3;3*1H
InChIKeyHNCMNIHEZXRBAU-UHFFFAOYSA-N
MW330.67 g/mol
LogP2.17
Rot. Bonds6

About 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride

1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride (PubChem CID 12717840) has the molecular formula C9H27Cl3N3OP and a molecular weight of 330.67 g/mol. Its IUPAC name is 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride.

Molecular Properties

Compound Name1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride
PubChem CID12717840
Molecular FormulaC9H27Cl3N3OP
Molecular Weight330.67 g/mol
Exact Mass329.10
IUPAC Name1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride
SMILESCN(C)CP(=O)(CN(C)C)CN(C)C.Cl.Cl.Cl
InChIInChI=1S/C9H24N3OP.3ClH/c1-10(2)7-14(13,8-11(3)4)9-12(5)6;;;/h7-9H2,1-6H3;3*1H
InChIKeyHNCMNIHEZXRBAU-UHFFFAOYSA-N
XLogP2.17
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.67
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
CID 174858360
(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid
CID 659707
N,N-dimethyl-1-[2-triethylsilylethyl(trimethylsilyloxy)phosphoryl]methanamine
CID 15395187
(dimethylamino)methyl-(2-triethylsilylethyl)phosphinic acid
CID 3703644
2-[carboxymethyl-[[(dimethylamino)methyl-hydroxysulfanylphosphoryl]methyl]amino]acetic acid
CID 143706824
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908
[4-(dimethylamino)butyl-(phosphonomethyl)amino]methylphosphonic acid
CID 20776526
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N-[[[formyl(methyl)amino]methyl-trimethylsilyloxyphosphoryl]methyl]-N-methylformamide
CID 15373316
[2-(dimethylamino)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 10955930
N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine
CID 3414475
N-methyl-N-oxosilylmethanamine;titanium;dihydrochloride
CID 173157305

Frequently Asked Questions

What is the IUPAC name of 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride?
The IUPAC name of 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride (CID 12717840) is 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride.
What is the SMILES notation for 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride?
The canonical SMILES for 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride is CN(C)CP(=O)(CN(C)C)CN(C)C.Cl.Cl.Cl.
What is the InChIKey of 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride?
The InChIKey is HNCMNIHEZXRBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N3OP.3ClH/c1-10(2)7-14(13,8-11(3)4)9-12(5)6;;;/h7-9H2,1-6H3;3*1H.
What are the key properties of 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride?
1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride has a molecular weight of 330.67 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride is sourced from PubChem (CID 12717840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).