2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

C15H30N2O2 — CID 106255433

IUPAC2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-3-14(4-2,12-18)11-17-13(19)10-15(16)8-6-5-7-9-15/h18H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyXYTPNZAITUMJIT-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.95
Rot. Bonds7

About 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (PubChem CID 106255433) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
PubChem CID106255433
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-3-14(4-2,12-18)11-17-13(19)10-15(16)8-6-5-7-9-15/h18H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyXYTPNZAITUMJIT-UHFFFAOYSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
2-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276956
2-(1-aminocyclohexyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 64684379
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
CID 64678530
2-(1-aminocyclohexyl)-N-(2-amino-2-oxoethyl)acetamide
CID 64684917
2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
2-(1-aminocyclopentyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 64686159
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide
CID 106187281

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (CID 106255433) is 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is CCC(CC)(CO)CNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The InChIKey is XYTPNZAITUMJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-14(4-2,12-18)11-17-13(19)10-15(16)8-6-5-7-9-15/h18H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is sourced from PubChem (CID 106255433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).