(butan-2-ylamino)methyl-methyl-methylidenephosphanium

C7H17NP+ — CID 91512364

IUPAC(butan-2-ylamino)methyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CNC(C)CC
InChIInChI=1S/C7H17NP/c1-5-7(2)8-6-9(3)4/h7-8H,3,5-6H2,1-2,4H3/q+1
InChIKeyHSWUKPHOIOTNRQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.88
Rot. Bonds4

About (butan-2-ylamino)methyl-methyl-methylidenephosphanium

(butan-2-ylamino)methyl-methyl-methylidenephosphanium (PubChem CID 91512364) has the molecular formula C7H17NP+ and a molecular weight of 146.19 g/mol. Its IUPAC name is (butan-2-ylamino)methyl-methyl-methylidenephosphanium.

Molecular Properties

Compound Name(butan-2-ylamino)methyl-methyl-methylidenephosphanium
PubChem CID91512364
Molecular FormulaC7H17NP+
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(butan-2-ylamino)methyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CNC(C)CC
InChIInChI=1S/C7H17NP/c1-5-7(2)8-6-9(3)4/h7-8H,3,5-6H2,1-2,4H3/q+1
InChIKeyHSWUKPHOIOTNRQ-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (butan-2-ylamino)methyl-methyl-methylidenephosphanium?
The IUPAC name of (butan-2-ylamino)methyl-methyl-methylidenephosphanium (CID 91512364) is (butan-2-ylamino)methyl-methyl-methylidenephosphanium.
What is the SMILES notation for (butan-2-ylamino)methyl-methyl-methylidenephosphanium?
The canonical SMILES for (butan-2-ylamino)methyl-methyl-methylidenephosphanium is C=[P+](C)CNC(C)CC.
What is the InChIKey of (butan-2-ylamino)methyl-methyl-methylidenephosphanium?
The InChIKey is HSWUKPHOIOTNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NP/c1-5-7(2)8-6-9(3)4/h7-8H,3,5-6H2,1-2,4H3/q+1.
What are the key properties of (butan-2-ylamino)methyl-methyl-methylidenephosphanium?
(butan-2-ylamino)methyl-methyl-methylidenephosphanium has a molecular weight of 146.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (butan-2-ylamino)methyl-methyl-methylidenephosphanium is sourced from PubChem (CID 91512364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).