N-(2-dimethylphosphorylethyl)propan-1-amine

C7H18NOP — CID 21323069

IUPACN-(2-dimethylphosphorylethyl)propan-1-amine
SMILESCCCNCCP(C)(C)=O
InChIInChI=1S/C7H18NOP/c1-4-5-8-6-7-10(2,3)9/h8H,4-7H2,1-3H3
InChIKeyAWXBBVOZXJPLFX-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.61
Rot. Bonds5

About N-(2-dimethylphosphorylethyl)propan-1-amine

N-(2-dimethylphosphorylethyl)propan-1-amine (PubChem CID 21323069) has the molecular formula C7H18NOP and a molecular weight of 163.20 g/mol. Its IUPAC name is N-(2-dimethylphosphorylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-dimethylphosphorylethyl)propan-1-amine
PubChem CID21323069
Molecular FormulaC7H18NOP
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC NameN-(2-dimethylphosphorylethyl)propan-1-amine
SMILESCCCNCCP(C)(C)=O
InChIInChI=1S/C7H18NOP/c1-4-5-8-6-7-10(2,3)9/h8H,4-7H2,1-3H3
InChIKeyAWXBBVOZXJPLFX-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.61
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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Related Compounds

4-(Propan-2-yl)-1,4lambda5-azaphosphinan-4-one
CID 58891733
3-Dimethylphosphorylpyrrolidine
CID 132081665
diamyl(N-butylaminomethyl)phosphine oxide
CID 129763320
2-(Dimethylphosphoryl)pyrrolidine
CID 138987796
N-tert-butyl-1-diethylphosphoryl-2,2-dimethylpropan-1-amine
CID 11149299
1-(Propylamino)propylphosphonic acid
CID 20320890
2-dimethylphosphoryl-N-methylethanamine
CID 21520362
N-(dimethylphosphorylmethyl)propan-1-amine
CID 55302300
2-(Butylamino)propan-2-yl-methyl-oxophosphanium
CID 58186867
N-[2-di(propan-2-yl)phosphanylethyl]propan-1-amine
CID 58194747
N'-(2-dimethylphosphorylethyl)propane-1,3-diamine
CID 59678789
3-Aminopropyl-oxo-[3-(propylamino)propyl]phosphanium
CID 88489438

Frequently Asked Questions

What is the IUPAC name of N-(2-dimethylphosphorylethyl)propan-1-amine?
The IUPAC name of N-(2-dimethylphosphorylethyl)propan-1-amine (CID 21323069) is N-(2-dimethylphosphorylethyl)propan-1-amine.
What is the SMILES notation for N-(2-dimethylphosphorylethyl)propan-1-amine?
The canonical SMILES for N-(2-dimethylphosphorylethyl)propan-1-amine is CCCNCCP(C)(C)=O.
What is the InChIKey of N-(2-dimethylphosphorylethyl)propan-1-amine?
The InChIKey is AWXBBVOZXJPLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOP/c1-4-5-8-6-7-10(2,3)9/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-dimethylphosphorylethyl)propan-1-amine?
N-(2-dimethylphosphorylethyl)propan-1-amine has a molecular weight of 163.20 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dimethylphosphorylethyl)propan-1-amine is sourced from PubChem (CID 21323069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).