2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide

C17H33N3O — CID 79113302

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN(C)C2CCC(N)CC2)C1C
InChIInChI=1S/C17H33N3O/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(3)15-9-7-14(18)8-10-15/h12-16H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyFTHGWPUDYRMXQK-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds4

About 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide

2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 79113302) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID79113302
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN(C)C2CCC(N)CC2)C1C
InChIInChI=1S/C17H33N3O/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(3)15-9-7-14(18)8-10-15/h12-16H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyFTHGWPUDYRMXQK-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
N-(2,3-dimethylcyclohexyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398199
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 66213902
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 51227440
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 11923707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide (CID 79113302) is 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CN(C)C2CCC(N)CC2)C1C.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is FTHGWPUDYRMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(3)15-9-7-14(18)8-10-15/h12-16H,4-11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 79113302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).