4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium

C24H30N4O2P+ — CID 159133812

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
SMILESCC(C)(C)OC(=O)NCCCC[P+](c1ccccn1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C24H29N4O2P/c1-24(2,3)30-23(29)28-18-10-11-19-31(20-12-4-7-15-25-20,21-13-5-8-16-26-21)22-14-6-9-17-27-22/h4-9,12-17H,10-11,18-19H2,1-3H3/p+1
InChIKeyKHFNYCGALGTCDH-UHFFFAOYSA-O
MW437.50 g/mol
LogP3.47
Rot. Bonds8

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium

4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium (PubChem CID 159133812) has the molecular formula C24H30N4O2P+ and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
PubChem CID159133812
Molecular FormulaC24H30N4O2P+
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
SMILESCC(C)(C)OC(=O)NCCCC[P+](c1ccccn1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C24H29N4O2P/c1-24(2,3)30-23(29)28-18-10-11-19-31(20-12-4-7-15-25-20,21-13-5-8-16-26-21)22-14-6-9-17-27-22/h4-9,12-17H,10-11,18-19H2,1-3H3/p+1
InChIKeyKHFNYCGALGTCDH-UHFFFAOYSA-O
XLogP3.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
CID 23562613
tert-butyl N-[5-methoxy-4-(pyridin-2-ylmethylamino)pentyl]carbamate
CID 103387291
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
tert-butyl N-[3-oxo-3-[3-(pyridine-2-carbonylamino)propylamino]propyl]carbamate
CID 108921655
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]carbamate
CID 103598780
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213
tert-butyl N-[3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propyl]carbamate
CID 110971231

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium (CID 159133812) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium is CC(C)(C)OC(=O)NCCCC[P+](c1ccccn1)(c1ccccn1)c1ccccn1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium?
The InChIKey is KHFNYCGALGTCDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N4O2P/c1-24(2,3)30-23(29)28-18-10-11-19-31(20-12-4-7-15-25-20,21-13-5-8-16-26-21)22-14-6-9-17-27-22/h4-9,12-17H,10-11,18-19H2,1-3H3/p+1.
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium?
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium has a molecular weight of 437.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium is sourced from PubChem (CID 159133812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).