N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine

C16H37N2OP — CID 3414475

IUPACN-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CP(=O)(CC)CN(CCC)CCC
InChIInChI=1S/C16H37N2OP/c1-6-11-17(12-7-2)15-20(19,10-5)16-18(13-8-3)14-9-4/h6-16H2,1-5H3
InChIKeyWDLTVLXVFGOYCY-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.53
Rot. Bonds13

About N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine

N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine (PubChem CID 3414475) has the molecular formula C16H37N2OP and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine
PubChem CID3414475
Molecular FormulaC16H37N2OP
Molecular Weight304.46 g/mol
Exact Mass304.26
IUPAC NameN-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CP(=O)(CC)CN(CCC)CCC
InChIInChI=1S/C16H37N2OP/c1-6-11-17(12-7-2)15-20(19,10-5)16-18(13-8-3)14-9-4/h6-16H2,1-5H3
InChIKeyWDLTVLXVFGOYCY-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphine oxide, tris(diethylaminomethyl)-
CID 200612
N-[bis[(dibutylamino)methyl]phosphorylmethyl]-N-butylbutan-1-amine
CID 427863
methyl[bis(N,N-dibutylaminomethyl)]phosphine oxide
CID 20106161
dihexyl-N,N-dibutylaminomethylphosphine oxide
CID 129768392
bis(N,N-diethylaminopropyl)phosphinic acid
CID 129878785
N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine
CID 170850802
N-[bis[(dipropylamino)methyl]phosphorylmethyl]-N-propylpropan-1-amine
CID 312419
Butaneamine, N-(2-butylphosphino)ethyl-N-(2-butylphosphinyl)ethyl-
CID 6329640
Butaneamine, N,N-bis(2-(butylphosphinyl)ethyl)-
CID 6329706
3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine
CID 54568568
Butyl-dioxido-oxo-lambda5-phosphane;bis(dibutyl(diethyl)azanium)
CID 88176997
N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine
CID 88945023

Frequently Asked Questions

What is the IUPAC name of N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine (CID 3414475) is N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine is CCCN(CCC)CP(=O)(CC)CN(CCC)CCC.
What is the InChIKey of N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine?
The InChIKey is WDLTVLXVFGOYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N2OP/c1-6-11-17(12-7-2)15-20(19,10-5)16-18(13-8-3)14-9-4/h6-16H2,1-5H3.
What are the key properties of N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine?
N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.53, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(dipropylamino)methyl-ethylphosphoryl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 3414475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).