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

C14H26N2O2 — CID 64549565

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-3-10-16-13(17)12(2)18-11-14(15)8-6-4-5-7-9-14/h3,12H,1,4-11,15H2,2H3,(H,16,17)
InChIKeyQRNMFPDOAYTHQM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds6

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

2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide (PubChem CID 64549565) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
PubChem CID64549565
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-3-10-16-13(17)12(2)18-11-14(15)8-6-4-5-7-9-14/h3,12H,1,4-11,15H2,2H3,(H,16,17)
InChIKeyQRNMFPDOAYTHQM-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
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-(2-methylpropyl)propanamide
CID 64551905
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
CID 106938268
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
CID 64549156
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-[(1-aminocyclopentyl)methoxy]-N-phenylpropanamide
CID 64574375
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
CID 55082317

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide (CID 64549565) is 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)OCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide?
The InChIKey is QRNMFPDOAYTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-10-16-13(17)12(2)18-11-14(15)8-6-4-5-7-9-14/h3,12H,1,4-11,15H2,2H3,(H,16,17).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide?
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.75, 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-enylpropanamide is sourced from PubChem (CID 64549565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).