N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine

C9H23N2OP — CID 12688741

IUPACN-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine
SMILESCC(C)(C)NP(C)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N2OP/c1-8(2,3)10-13(7,12)11-9(4,5)6/h1-7H3,(H2,10,11,12)
InChIKeyRTKAXGMSAGQFBJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.59
Rot. Bonds2

About N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine

N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine (PubChem CID 12688741) has the molecular formula C9H23N2OP and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine
PubChem CID12688741
Molecular FormulaC9H23N2OP
Molecular Weight206.27 g/mol
Exact Mass206.15
IUPAC NameN-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine
SMILESCC(C)(C)NP(C)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N2OP/c1-8(2,3)10-13(7,12)11-9(4,5)6/h1-7H3,(H2,10,11,12)
InChIKeyRTKAXGMSAGQFBJ-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.59
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-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine?
The IUPAC name of N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine (CID 12688741) is N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine is CC(C)(C)NP(C)(=O)NC(C)(C)C.
What is the InChIKey of N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine?
The InChIKey is RTKAXGMSAGQFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2OP/c1-8(2,3)10-13(7,12)11-9(4,5)6/h1-7H3,(H2,10,11,12).
What are the key properties of N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine?
N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine has a molecular weight of 206.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)-methylphosphoryl]-2-methylpropan-2-amine is sourced from PubChem (CID 12688741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).