2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide

C15H28N2O2 — CID 64548752

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COCC1(N)CCCCCC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-2-17(13-7-8-13)14(18)11-19-12-15(16)9-5-3-4-6-10-15/h13H,2-12,16H2,1H3
InChIKeySMHBXFBCZJENBI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.07
Rot. Bonds6

About 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide

2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 64548752) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID64548752
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COCC1(N)CCCCCC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-2-17(13-7-8-13)14(18)11-19-12-15(16)9-5-3-4-6-10-15/h13H,2-12,16H2,1H3
InChIKeySMHBXFBCZJENBI-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethoxy)-N-cyclopentyl-N-ethylacetamide
CID 79473978
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
(1-aminocyclohexyl)methyl N,N-diethylcarbamate
CID 79338374
2-[(1-aminocyclopentyl)methoxy]-N-pentan-3-ylacetamide
CID 64572457
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
CID 64572066
2-(1-amino-2-methylpropan-2-yl)oxy-N-cyclopropyl-N-ethylacetamide
CID 65053276
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474
N-cyclopropyl-N-ethyl-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371060
3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
CID 64574200
N-cyclopropyl-N-ethyl-2-(4-hydroxycyclohexyl)oxyacetamide
CID 113414290
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide (CID 64548752) is 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COCC1(N)CCCCCC1)C1CC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is SMHBXFBCZJENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17(13-7-8-13)14(18)11-19-12-15(16)9-5-3-4-6-10-15/h13H,2-12,16H2,1H3.
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide?
2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 268.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 64548752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).