2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide

C13H24N2O2 — CID 64549148

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide
SMILESNC1(COCC(=O)NC2CC2)CCCCCC1
InChIInChI=1S/C13H24N2O2/c14-13(7-3-1-2-4-8-13)10-17-9-12(16)15-11-5-6-11/h11H,1-10,14H2,(H,15,16)
InChIKeyKTIFXZQYJOMGRD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds5

About 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide

2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide (PubChem CID 64549148) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide
PubChem CID64549148
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide
SMILESNC1(COCC(=O)NC2CC2)CCCCCC1
InChIInChI=1S/C13H24N2O2/c14-13(7-3-1-2-4-8-13)10-17-9-12(16)15-11-5-6-11/h11H,1-10,14H2,(H,15,16)
InChIKeyKTIFXZQYJOMGRD-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide (CID 64549148) is 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide is NC1(COCC(=O)NC2CC2)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide?
The InChIKey is KTIFXZQYJOMGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-13(7-3-1-2-4-8-13)10-17-9-12(16)15-11-5-6-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide?
2-[(1-aminocycloheptyl)methoxy]-N-cyclopropylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.33, 5 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-cyclopropylacetamide is sourced from PubChem (CID 64549148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).