N-[tert-butyl(methylamino)phosphoryl]methanamine

C6H17N2OP — CID 12688743

IUPACN-[tert-butyl(methylamino)phosphoryl]methanamine
SMILESCNP(=O)(NC)C(C)(C)C
InChIInChI=1S/C6H17N2OP/c1-6(2,3)10(9,7-4)8-5/h1-5H3,(H2,7,8,9)
InChIKeyXPDNTSVEVNTNDU-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.42
Rot. Bonds2

About N-[tert-butyl(methylamino)phosphoryl]methanamine

N-[tert-butyl(methylamino)phosphoryl]methanamine (PubChem CID 12688743) has the molecular formula C6H17N2OP and a molecular weight of 164.19 g/mol. Its IUPAC name is N-[tert-butyl(methylamino)phosphoryl]methanamine.

Molecular Properties

Compound NameN-[tert-butyl(methylamino)phosphoryl]methanamine
PubChem CID12688743
Molecular FormulaC6H17N2OP
Molecular Weight164.19 g/mol
Exact Mass164.11
IUPAC NameN-[tert-butyl(methylamino)phosphoryl]methanamine
SMILESCNP(=O)(NC)C(C)(C)C
InChIInChI=1S/C6H17N2OP/c1-6(2,3)10(9,7-4)8-5/h1-5H3,(H2,7,8,9)
InChIKeyXPDNTSVEVNTNDU-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diaminophosphoryl-2,2-dimethylpropan-1-amine
CID 56614366
N-[methylamino(propyl)phosphoryl]methanamine
CID 88626669
N-[amino(tert-butyl)phosphoryl]methanamine
CID 123404492
N-[bis(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine
CID 140546574
N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine
CID 140546578
N-[tert-butyl(ethylamino)phosphoryl]ethanamine
CID 142271185
N-[butyl(methylamino)phosphoryl]methanamine
CID 154123378
N-[tert-butyl-[methyl(oxido)azaniumyl]phosphoryl]methanamine oxide
CID 164131053
N-[ethylamino(methyl)phosphoryl]propan-1-amine
CID 58265800
N-[(2,2-dimethylpropylamino)-methylphosphoryl]-2,2-dimethylpropan-1-amine
CID 101070209

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(methylamino)phosphoryl]methanamine?
The IUPAC name of N-[tert-butyl(methylamino)phosphoryl]methanamine (CID 12688743) is N-[tert-butyl(methylamino)phosphoryl]methanamine.
What is the SMILES notation for N-[tert-butyl(methylamino)phosphoryl]methanamine?
The canonical SMILES for N-[tert-butyl(methylamino)phosphoryl]methanamine is CNP(=O)(NC)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(methylamino)phosphoryl]methanamine?
The InChIKey is XPDNTSVEVNTNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2OP/c1-6(2,3)10(9,7-4)8-5/h1-5H3,(H2,7,8,9).
What are the key properties of N-[tert-butyl(methylamino)phosphoryl]methanamine?
N-[tert-butyl(methylamino)phosphoryl]methanamine has a molecular weight of 164.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(methylamino)phosphoryl]methanamine is sourced from PubChem (CID 12688743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).