2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide

C13H24N2O2 — CID 64549156

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COCC1(N)CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-9-15-12(16)10-17-11-13(14)7-5-3-4-6-8-13/h2H,1,3-11,14H2,(H,15,16)
InChIKeyXQOPHJHOKILBNZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds6

About 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide

2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide (PubChem CID 64549156) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
PubChem CID64549156
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COCC1(N)CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-9-15-12(16)10-17-11-13(14)7-5-3-4-6-8-13/h2H,1,3-11,14H2,(H,15,16)
InChIKeyXQOPHJHOKILBNZ-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
CID 64572066
2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
CID 64549778
2-(2-aminoethoxy)-N-prop-2-enylacetamide
CID 62343413
2-[(1-aminocyclopentyl)methoxy]-N-pentan-3-ylacetamide
CID 64572457
1-[2-oxo-2-(prop-2-enylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529261
1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine
CID 79173171
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119404560
N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 86780784
2-(piperidin-2-ylmethoxy)-N-prop-2-enylacetamide
CID 62333229
2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide
CID 106187281
1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine
CID 106439119

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide (CID 64549156) is 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide?
The InChIKey is XQOPHJHOKILBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-9-15-12(16)10-17-11-13(14)7-5-3-4-6-8-13/h2H,1,3-11,14H2,(H,15,16).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide?
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 64549156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).