2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide

C13H24N2O — CID 106187281

IUPAC2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)6-9-15-12(16)10-13(14)7-4-3-5-8-13/h6H,3-5,7-10,14H2,1-2H3,(H,15,16)
InChIKeyDAONDSUZQRELFD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.12
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide

2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide (PubChem CID 106187281) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide
PubChem CID106187281
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)6-9-15-12(16)10-13(14)7-4-3-5-8-13/h6H,3-5,7-10,14H2,1-2H3,(H,15,16)
InChIKeyDAONDSUZQRELFD-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclohexyl)-N-(2-amino-2-oxoethyl)acetamide
CID 64684917
2-(1-aminocyclopentyl)-N-(2-methylsulfanylethyl)acetamide
CID 64679274
2-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
2-(1-aminocyclopentyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 64686159
2-[[2-(1-aminocyclobutyl)acetyl]amino]acetic acid
CID 79854186
2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113492226
3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276956
2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 106255433
2-(1-aminocyclohexyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 64684379
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
CID 64678530

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide (CID 106187281) is 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is DAONDSUZQRELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)6-9-15-12(16)10-13(14)7-4-3-5-8-13/h6H,3-5,7-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide?
2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 224.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 106187281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).