N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide

C12H22N2O — CID 65193722

IUPACN-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
SMILESCCC(CN)NC(=O)CC1=CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-11(9-13)14-12(15)8-10-6-4-3-5-7-10/h6,11H,2-5,7-9,13H2,1H3,(H,14,15)
InChIKeyRFICPCNYKUKYFA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide

N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide (PubChem CID 65193722) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
PubChem CID65193722
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
SMILESCCC(CN)NC(=O)CC1=CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-11(9-13)14-12(15)8-10-6-4-3-5-7-10/h6,11H,2-5,7-9,13H2,1H3,(H,14,15)
InChIKeyRFICPCNYKUKYFA-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
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

methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 63886786
(2S,3R)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964499
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798785
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide (CID 65193722) is N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide is CCC(CN)NC(=O)CC1=CCCCC1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide?
The InChIKey is RFICPCNYKUKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-11(9-13)14-12(15)8-10-6-4-3-5-7-10/h6,11H,2-5,7-9,13H2,1H3,(H,14,15).
What are the key properties of N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide?
N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 65193722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).