N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine

C11H27N2OP — CID 101070209

IUPACN-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNP(C)(=O)NCC(C)(C)C
InChIInChI=1S/C11H27N2OP/c1-10(2,3)8-12-15(7,14)13-9-11(4,5)6/h8-9H2,1-7H3,(H2,12,13,14)
InChIKeyDFEOJNDYHXVACY-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.08
Rot. Bonds4

About N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine

N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine (PubChem CID 101070209) has the molecular formula C11H27N2OP and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine
PubChem CID101070209
Molecular FormulaC11H27N2OP
Molecular Weight234.32 g/mol
Exact Mass234.19
IUPAC NameN-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNP(C)(=O)NCC(C)(C)C
InChIInChI=1S/C11H27N2OP/c1-10(2,3)8-12-15(7,14)13-9-11(4,5)6/h8-9H2,1-7H3,(H2,12,13,14)
InChIKeyDFEOJNDYHXVACY-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine (CID 101070209) is N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNP(C)(=O)NCC(C)(C)C.
What is the InChIKey of N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine?
The InChIKey is DFEOJNDYHXVACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2OP/c1-10(2,3)8-12-15(7,14)13-9-11(4,5)6/h8-9H2,1-7H3,(H2,12,13,14).
What are the key properties of N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine?
N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 101070209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).