2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide

C12H25N3O — CID 79467932

IUPAC2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C1CCCC(N)C1
InChIInChI=1S/C12H25N3O/c1-3-14-12(16)9-15(4-2)11-7-5-6-10(13)8-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyUZZUGYJRBWAYIV-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide

2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide (PubChem CID 79467932) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
PubChem CID79467932
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C1CCCC(N)C1
InChIInChI=1S/C12H25N3O/c1-3-14-12(16)9-15(4-2)11-7-5-6-10(13)8-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyUZZUGYJRBWAYIV-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide (CID 79467932) is 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide?
The InChIKey is UZZUGYJRBWAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-14-12(16)9-15(4-2)11-7-5-6-10(13)8-11/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide?
2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 79467932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).