prop-2-ynyl N-(4-aminocyclohexyl)carbamate

C10H16N2O2 — CID 130606195

IUPACprop-2-ynyl N-(4-aminocyclohexyl)carbamate
SMILESC#CCOC(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H16N2O2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h1,8-9H,3-7,11H2,(H,12,13)
InChIKeyLMTWORWPYGUDFS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.62
Rot. Bonds2

About prop-2-ynyl N-(4-aminocyclohexyl)carbamate

prop-2-ynyl N-(4-aminocyclohexyl)carbamate (PubChem CID 130606195) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is prop-2-ynyl N-(4-aminocyclohexyl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(4-aminocyclohexyl)carbamate
PubChem CID130606195
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameprop-2-ynyl N-(4-aminocyclohexyl)carbamate
SMILESC#CCOC(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H16N2O2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h1,8-9H,3-7,11H2,(H,12,13)
InChIKeyLMTWORWPYGUDFS-UHFFFAOYSA-N
XLogP0.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.62
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

N-(4-aminocyclohexyl)prop-2-ynamide
CID 79113188
prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460440
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate
CID 156672987
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 126490326
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
CID 161291088
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;tert-butyl N-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydrate
CID 160778406

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(4-aminocyclohexyl)carbamate?
The IUPAC name of prop-2-ynyl N-(4-aminocyclohexyl)carbamate (CID 130606195) is prop-2-ynyl N-(4-aminocyclohexyl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(4-aminocyclohexyl)carbamate?
The canonical SMILES for prop-2-ynyl N-(4-aminocyclohexyl)carbamate is C#CCOC(=O)NC1CCC(N)CC1.
What is the InChIKey of prop-2-ynyl N-(4-aminocyclohexyl)carbamate?
The InChIKey is LMTWORWPYGUDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h1,8-9H,3-7,11H2,(H,12,13).
What are the key properties of prop-2-ynyl N-(4-aminocyclohexyl)carbamate?
prop-2-ynyl N-(4-aminocyclohexyl)carbamate has a molecular weight of 196.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(4-aminocyclohexyl)carbamate is sourced from PubChem (CID 130606195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).