methyl N-[2-(prop-2-ynylamino)ethyl]carbamate

C7H12N2O2 — CID 89315240

IUPACmethyl N-[2-(prop-2-ynylamino)ethyl]carbamate
SMILESC#CCNCCNC(=O)OC
InChIInChI=1S/C7H12N2O2/c1-3-4-8-5-6-9-7(10)11-2/h1,8H,4-6H2,2H3,(H,9,10)
InChIKeyQCGQOMCAPPKYIC-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.43
Rot. Bonds4

About methyl N-[2-(prop-2-ynylamino)ethyl]carbamate

methyl N-[2-(prop-2-ynylamino)ethyl]carbamate (PubChem CID 89315240) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is methyl N-[2-(prop-2-ynylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(prop-2-ynylamino)ethyl]carbamate
PubChem CID89315240
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Namemethyl N-[2-(prop-2-ynylamino)ethyl]carbamate
SMILESC#CCNCCNC(=O)OC
InChIInChI=1S/C7H12N2O2/c1-3-4-8-5-6-9-7(10)11-2/h1,8H,4-6H2,2H3,(H,9,10)
InChIKeyQCGQOMCAPPKYIC-UHFFFAOYSA-N
XLogP-0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019
tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate
CID 163403842
methyl N-hex-5-ynylcarbamate
CID 103758218
methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
CID 177307404
tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate
CID 115866342
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
methyl N-(2-fluoroethyl)carbamate
CID 14512865
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine
CID 79271656
3-(prop-2-ynylamino)propanamide
CID 43090029

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(prop-2-ynylamino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(prop-2-ynylamino)ethyl]carbamate (CID 89315240) is methyl N-[2-(prop-2-ynylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(prop-2-ynylamino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(prop-2-ynylamino)ethyl]carbamate is C#CCNCCNC(=O)OC.
What is the InChIKey of methyl N-[2-(prop-2-ynylamino)ethyl]carbamate?
The InChIKey is QCGQOMCAPPKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-8-5-6-9-7(10)11-2/h1,8H,4-6H2,2H3,(H,9,10).
What are the key properties of methyl N-[2-(prop-2-ynylamino)ethyl]carbamate?
methyl N-[2-(prop-2-ynylamino)ethyl]carbamate has a molecular weight of 156.19 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(prop-2-ynylamino)ethyl]carbamate is sourced from PubChem (CID 89315240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).