trimethyl(propylaminomethyl)phosphanium

C7H19NP+ — CID 167202945

IUPACtrimethyl(propylaminomethyl)phosphanium
SMILESCCCNC[P+](C)(C)C
InChIInChI=1S/C7H19NP/c1-5-6-8-7-9(2,3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyLORGPXSKHHAOJM-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.85
Rot. Bonds4

About trimethyl(propylaminomethyl)phosphanium

trimethyl(propylaminomethyl)phosphanium (PubChem CID 167202945) has the molecular formula C7H19NP+ and a molecular weight of 148.21 g/mol. Its IUPAC name is trimethyl(propylaminomethyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(propylaminomethyl)phosphanium
PubChem CID167202945
Molecular FormulaC7H19NP+
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Nametrimethyl(propylaminomethyl)phosphanium
SMILESCCCNC[P+](C)(C)C
InChIInChI=1S/C7H19NP/c1-5-6-8-7-9(2,3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyLORGPXSKHHAOJM-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-N-propylpropan-1-amine
CID 520943
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 81015927
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 62569751
2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
CID 134267179
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N,2-dipropylpentan-1-amine
CID 62530512
2-methyl-1-N-propylpentane-1,4-diamine
CID 123759475

Frequently Asked Questions

What is the IUPAC name of trimethyl(propylaminomethyl)phosphanium?
The IUPAC name of trimethyl(propylaminomethyl)phosphanium (CID 167202945) is trimethyl(propylaminomethyl)phosphanium.
What is the SMILES notation for trimethyl(propylaminomethyl)phosphanium?
The canonical SMILES for trimethyl(propylaminomethyl)phosphanium is CCCNC[P+](C)(C)C.
What is the InChIKey of trimethyl(propylaminomethyl)phosphanium?
The InChIKey is LORGPXSKHHAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NP/c1-5-6-8-7-9(2,3)4/h8H,5-7H2,1-4H3/q+1.
What are the key properties of trimethyl(propylaminomethyl)phosphanium?
trimethyl(propylaminomethyl)phosphanium has a molecular weight of 148.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(propylaminomethyl)phosphanium is sourced from PubChem (CID 167202945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).