2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide

C16H33N3O — CID 61212680

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-19(7-2)15(20)12-17-13-16(18(4)5)10-8-9-14(3)11-16/h14,17H,6-13H2,1-5H3
InChIKeyGAVQVHKOIRMKNY-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.95
Rot. Bonds7

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide

2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide (PubChem CID 61212680) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
PubChem CID61212680
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-19(7-2)15(20)12-17-13-16(18(4)5)10-8-9-14(3)11-16/h14,17H,6-13H2,1-5H3
InChIKeyGAVQVHKOIRMKNY-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide (CID 61212680) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide?
The InChIKey is GAVQVHKOIRMKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-19(7-2)15(20)12-17-13-16(18(4)5)10-8-9-14(3)11-16/h14,17H,6-13H2,1-5H3.
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide has a molecular weight of 283.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 61212680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).