2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide

C12H25N3O — CID 61449581

IUPAC2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C1CCCCC1N
InChIInChI=1S/C12H25N3O/c1-4-15(9-12(16)14(2)3)11-8-6-5-7-10(11)13/h10-11H,4-9,13H2,1-3H3
InChIKeyZPPZHBNTLJVYAG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds4

About 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide

2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 61449581) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide
PubChem CID61449581
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C1CCCCC1N
InChIInChI=1S/C12H25N3O/c1-4-15(9-12(16)14(2)3)11-8-6-5-7-10(11)13/h10-11H,4-9,13H2,1-3H3
InChIKeyZPPZHBNTLJVYAG-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide (CID 61449581) is 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)C1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is ZPPZHBNTLJVYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(9-12(16)14(2)3)11-8-6-5-7-10(11)13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide?
2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61449581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).