tert-butyl N-(5-aminopent-2-ynyl)carbamate

C10H18N2O2 — CID 86698555

IUPACtert-butyl N-(5-aminopent-2-ynyl)carbamate
SMILESCC(C)(C)OC(=O)NCC#CCCN
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h5,7-8,11H2,1-3H3,(H,12,13)
InChIKeyAAYWHGKRCDDADQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.86
Rot. Bonds2

About tert-butyl N-(5-aminopent-2-ynyl)carbamate

tert-butyl N-(5-aminopent-2-ynyl)carbamate (PubChem CID 86698555) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl N-(5-aminopent-2-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-aminopent-2-ynyl)carbamate
PubChem CID86698555
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl N-(5-aminopent-2-ynyl)carbamate
SMILESCC(C)(C)OC(=O)NCC#CCCN
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h5,7-8,11H2,1-3H3,(H,12,13)
InChIKeyAAYWHGKRCDDADQ-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-aminobut-2-ynyl)carbamate;hydrochloride
CID 178189908
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tert-butyl N-[(2-aminoethylamino)methyl]carbamate
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tert-butyl N-[4-(butylamino)but-2-ynyl]carbamate
CID 155407048
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
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ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[(2S)-1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 10800508
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-(bromomethyl)carbamate
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tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-aminopent-2-ynyl)carbamate?
The IUPAC name of tert-butyl N-(5-aminopent-2-ynyl)carbamate (CID 86698555) is tert-butyl N-(5-aminopent-2-ynyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-aminopent-2-ynyl)carbamate?
The canonical SMILES for tert-butyl N-(5-aminopent-2-ynyl)carbamate is CC(C)(C)OC(=O)NCC#CCCN.
What is the InChIKey of tert-butyl N-(5-aminopent-2-ynyl)carbamate?
The InChIKey is AAYWHGKRCDDADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h5,7-8,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(5-aminopent-2-ynyl)carbamate?
tert-butyl N-(5-aminopent-2-ynyl)carbamate has a molecular weight of 198.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-aminopent-2-ynyl)carbamate is sourced from PubChem (CID 86698555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).