methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate

C11H17NO2 — CID 62367369

IUPACmethyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
SMILESC#CCNC1(C(=O)OC)CCCCC1
InChIInChI=1S/C11H17NO2/c1-3-9-12-11(10(13)14-2)7-5-4-6-8-11/h1,12H,4-9H2,2H3
InChIKeyUVRBRTPCOPJHFF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.09
Rot. Bonds3

About methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate

methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate (PubChem CID 62367369) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
PubChem CID62367369
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
SMILESC#CCNC1(C(=O)OC)CCCCC1
InChIInChI=1S/C11H17NO2/c1-3-9-12-11(10(13)14-2)7-5-4-6-8-11/h1,12H,4-9H2,2H3
InChIKeyUVRBRTPCOPJHFF-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate (CID 62367369) is methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate is C#CCNC1(C(=O)OC)CCCCC1.
What is the InChIKey of methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate?
The InChIKey is UVRBRTPCOPJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-9-12-11(10(13)14-2)7-5-4-6-8-11/h1,12H,4-9H2,2H3.
What are the key properties of methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate?
methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 62367369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).