N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine

C12H29N2OP — CID 12667231

IUPACN-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine
SMILESCC(C)(C)NP(=O)(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H29N2OP/c1-10(2,3)13-16(15,12(7,8)9)14-11(4,5)6/h1-9H3,(H2,13,14,15)
InChIKeyPFJXTPCTAGEWLJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.75
Rot. Bonds2

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

N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine (PubChem CID 12667231) has the molecular formula C12H29N2OP and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine
PubChem CID12667231
Molecular FormulaC12H29N2OP
Molecular Weight248.35 g/mol
Exact Mass248.20
IUPAC NameN-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine
SMILESCC(C)(C)NP(=O)(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H29N2OP/c1-10(2,3)13-16(15,12(7,8)9)14-11(4,5)6/h1-9H3,(H2,13,14,15)
InChIKeyPFJXTPCTAGEWLJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.75
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-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine?
The IUPAC name of N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine (CID 12667231) is N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine?
The canonical SMILES for N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine is CC(C)(C)NP(=O)(NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine?
The InChIKey is PFJXTPCTAGEWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N2OP/c1-10(2,3)13-16(15,12(7,8)9)14-11(4,5)6/h1-9H3,(H2,13,14,15).
What are the key properties of N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine?
N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl-(tert-butylamino)phosphoryl]-2-methylpropan-2-amine is sourced from PubChem (CID 12667231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).