2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide

C16H33N3O — CID 79123116

IUPAC2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCCNC1CCC(N(C)CC(=O)NCCC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-5-17-14-6-8-15(9-7-14)19(4)12-16(20)18-11-10-13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyBUCHENFFOXHECM-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds8

About 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide

2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 79123116) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
PubChem CID79123116
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCCNC1CCC(N(C)CC(=O)NCCC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-5-17-14-6-8-15(9-7-14)19(4)12-16(20)18-11-10-13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyBUCHENFFOXHECM-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122493
N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55248733
2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
CID 113147921
2-[[2-[cyclopropyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 55628038
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117
3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
CID 82842720
2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide
CID 79122902
2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide (CID 79123116) is 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide is CCNC1CCC(N(C)CC(=O)NCCC(C)C)CC1.
What is the InChIKey of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is BUCHENFFOXHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-17-14-6-8-15(9-7-14)19(4)12-16(20)18-11-10-13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 79123116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).