5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium

C10H23N2O2+ — CID 7019265

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
SMILESCC(C)(C)OC(=O)NCCCCC[NH3+]
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)/p+1
InChIKeyDPLOGSUBQDREOU-UHFFFAOYSA-O
MW203.31 g/mol
LogP0.92
Rot. Bonds5

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium

5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium (PubChem CID 7019265) has the molecular formula C10H23N2O2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
PubChem CID7019265
Molecular FormulaC10H23N2O2+
Molecular Weight203.31 g/mol
Exact Mass203.18
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
SMILESCC(C)(C)OC(=O)NCCCCC[NH3+]
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)/p+1
InChIKeyDPLOGSUBQDREOU-UHFFFAOYSA-O
XLogP0.92
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide
CID 54708081
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
CID 58849446
CID 58849446
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium (CID 7019265) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium is CC(C)(C)OC(=O)NCCCCC[NH3+].
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium?
The InChIKey is DPLOGSUBQDREOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)/p+1.
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium?
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium has a molecular weight of 203.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium is sourced from PubChem (CID 7019265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).