N-(dimethylphosphorylmethyl)propan-1-amine

C6H16NOP — CID 55302300

IUPACN-(dimethylphosphorylmethyl)propan-1-amine
SMILESCCCNCP(C)(C)=O
InChIInChI=1S/C6H16NOP/c1-4-5-7-6-9(2,3)8/h7H,4-6H2,1-3H3
InChIKeyXLHNTBSQMFPVLV-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.57
Rot. Bonds4

About N-(dimethylphosphorylmethyl)propan-1-amine

N-(dimethylphosphorylmethyl)propan-1-amine (PubChem CID 55302300) has the molecular formula C6H16NOP and a molecular weight of 149.17 g/mol. Its IUPAC name is N-(dimethylphosphorylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(dimethylphosphorylmethyl)propan-1-amine
PubChem CID55302300
Molecular FormulaC6H16NOP
Molecular Weight149.17 g/mol
Exact Mass149.10
IUPAC NameN-(dimethylphosphorylmethyl)propan-1-amine
SMILESCCCNCP(C)(C)=O
InChIInChI=1S/C6H16NOP/c1-4-5-7-6-9(2,3)8/h7H,4-6H2,1-3H3
InChIKeyXLHNTBSQMFPVLV-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylphosphorylmethyl)propan-1-amine?
The IUPAC name of N-(dimethylphosphorylmethyl)propan-1-amine (CID 55302300) is N-(dimethylphosphorylmethyl)propan-1-amine.
What is the SMILES notation for N-(dimethylphosphorylmethyl)propan-1-amine?
The canonical SMILES for N-(dimethylphosphorylmethyl)propan-1-amine is CCCNCP(C)(C)=O.
What is the InChIKey of N-(dimethylphosphorylmethyl)propan-1-amine?
The InChIKey is XLHNTBSQMFPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NOP/c1-4-5-7-6-9(2,3)8/h7H,4-6H2,1-3H3.
What are the key properties of N-(dimethylphosphorylmethyl)propan-1-amine?
N-(dimethylphosphorylmethyl)propan-1-amine has a molecular weight of 149.17 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylphosphorylmethyl)propan-1-amine is sourced from PubChem (CID 55302300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).