3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide

C16H33N3O — CID 62807128

IUPAC3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C16H33N3O/c1-12(2)15(11-19(3)4)18-16(20)14-7-5-6-13(10-14)8-9-17/h12-15H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyUMCFWKGKLLQLOL-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.84
Rot. Bonds7

About 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 62807128) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
PubChem CID62807128
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C16H33N3O/c1-12(2)15(11-19(3)4)18-16(20)14-7-5-6-13(10-14)8-9-17/h12-15H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyUMCFWKGKLLQLOL-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806618
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538
N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide
CID 54958647

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide (CID 62807128) is 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide is CC(C)C(CN(C)C)NC(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is UMCFWKGKLLQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)15(11-19(3)4)18-16(20)14-7-5-6-13(10-14)8-9-17/h12-15H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62807128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).