2-aminopentyl-methyl-methylidenephosphanium

C7H17NP+ — CID 91453588

IUPAC2-aminopentyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CC(N)CCC
InChIInChI=1S/C7H17NP/c1-4-5-7(8)6-9(2)3/h7H,2,4-6,8H2,1,3H3/q+1
InChIKeyUJFIARBFXFYSNX-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.66
Rot. Bonds4

About 2-aminopentyl-methyl-methylidenephosphanium

2-aminopentyl-methyl-methylidenephosphanium (PubChem CID 91453588) has the molecular formula C7H17NP+ and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-aminopentyl-methyl-methylidenephosphanium.

Molecular Properties

Compound Name2-aminopentyl-methyl-methylidenephosphanium
PubChem CID91453588
Molecular FormulaC7H17NP+
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-aminopentyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CC(N)CCC
InChIInChI=1S/C7H17NP/c1-4-5-7(8)6-9(2)3/h7H,2,4-6,8H2,1,3H3/q+1
InChIKeyUJFIARBFXFYSNX-UHFFFAOYSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;heptan-4-amine
CID 118430725
ethane;hexan-3-amine
CID 143616305
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
ethane;hexan-3-amine;methane
CID 145152462
(4R)-tridecan-4-amine
CID 150614684
(2R)-1-methylsulfanylpentan-2-amine
CID 94552222
1-iodohexan-3-amine
CID 126638870
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076
1-aminohexan-3-yl-methyl-methylidenephosphanium
CID 126626124

Frequently Asked Questions

What is the IUPAC name of 2-aminopentyl-methyl-methylidenephosphanium?
The IUPAC name of 2-aminopentyl-methyl-methylidenephosphanium (CID 91453588) is 2-aminopentyl-methyl-methylidenephosphanium.
What is the SMILES notation for 2-aminopentyl-methyl-methylidenephosphanium?
The canonical SMILES for 2-aminopentyl-methyl-methylidenephosphanium is C=[P+](C)CC(N)CCC.
What is the InChIKey of 2-aminopentyl-methyl-methylidenephosphanium?
The InChIKey is UJFIARBFXFYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NP/c1-4-5-7(8)6-9(2)3/h7H,2,4-6,8H2,1,3H3/q+1.
What are the key properties of 2-aminopentyl-methyl-methylidenephosphanium?
2-aminopentyl-methyl-methylidenephosphanium has a molecular weight of 146.19 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentyl-methyl-methylidenephosphanium is sourced from PubChem (CID 91453588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).