N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine

C6H18N3OP — CID 140546578

IUPACN-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine
SMILESCNP(N)(=O)NCC(C)(C)C
InChIInChI=1S/C6H18N3OP/c1-6(2,3)5-9-11(7,10)8-4/h5H2,1-4H3,(H4,7,8,9,10)
InChIKeyUQLDJWRDTGODMQ-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.91
Rot. Bonds3

About N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine

N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine (PubChem CID 140546578) has the molecular formula C6H18N3OP and a molecular weight of 179.20 g/mol. Its IUPAC name is N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine
PubChem CID140546578
Molecular FormulaC6H18N3OP
Molecular Weight179.20 g/mol
Exact Mass179.12
IUPAC NameN-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine
SMILESCNP(N)(=O)NCC(C)(C)C
InChIInChI=1S/C6H18N3OP/c1-6(2,3)5-9-11(7,10)8-4/h5H2,1-4H3,(H4,7,8,9,10)
InChIKeyUQLDJWRDTGODMQ-UHFFFAOYSA-N
XLogP0.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
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-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine (CID 140546578) is N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine is CNP(N)(=O)NCC(C)(C)C.
What is the InChIKey of N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine?
The InChIKey is UQLDJWRDTGODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3OP/c1-6(2,3)5-9-11(7,10)8-4/h5H2,1-4H3,(H4,7,8,9,10).
What are the key properties of N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine?
N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine has a molecular weight of 179.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(methylamino)phosphoryl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 140546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).