N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane

C13H34N3OP — CID 175509277

IUPACN-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane
SMILESCCCCCCC.CN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C7H16.C6H18N3OP/c1-3-5-7-6-4-2;1-7(2)11(10,8(3)4)9(5)6/h3-7H2,1-2H3;1-6H3
InChIKeyGJRXADSMDCCEFZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.76
Rot. Bonds7

About N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane

N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane (PubChem CID 175509277) has the molecular formula C13H34N3OP and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane.

Molecular Properties

Compound NameN-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane
PubChem CID175509277
Molecular FormulaC13H34N3OP
Molecular Weight279.41 g/mol
Exact Mass279.24
IUPAC NameN-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane
SMILESCCCCCCC.CN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C7H16.C6H18N3OP/c1-3-5-7-6-4-2;1-7(2)11(10,8(3)4)9(5)6/h3-7H2,1-2H3;1-6H3
InChIKeyGJRXADSMDCCEFZ-UHFFFAOYSA-N
XLogP3.76
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane
CID 134905059
N,N-dimethylmethanamine;tridecane
CID 174432259
N-[dimethylamino(pentyl)phosphoryl]-N-methylmethanamine
CID 14744080
dodecane;phosphoric acid
CID 88801558
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989
N,N-dimethylformamide;dodecane
CID 174900991
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane?
The IUPAC name of N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane (CID 175509277) is N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane.
What is the SMILES notation for N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane?
The canonical SMILES for N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane is CCCCCCC.CN(C)P(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane?
The InChIKey is GJRXADSMDCCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H18N3OP/c1-3-5-7-6-4-2;1-7(2)11(10,8(3)4)9(5)6/h3-7H2,1-2H3;1-6H3.
What are the key properties of N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane?
N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane has a molecular weight of 279.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane is sourced from PubChem (CID 175509277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).