N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide

C10H18N2O — CID 94547428

IUPACN-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
SMILESC=CCC(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C10H18N2O/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h2,8-9H,1,3-7,11H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyOTPLMUUFVOFOOB-RKDXNWHRSA-N
MW182.27 g/mol
LogP0.95
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide

N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide (PubChem CID 94547428) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
PubChem CID94547428
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
SMILESC=CCC(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C10H18N2O/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h2,8-9H,1,3-7,11H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyOTPLMUUFVOFOOB-RKDXNWHRSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.95
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

N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide
CID 147464092
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-(2-aminocyclopentyl)-2-cyclohexylacetamide
CID 63251405
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
N-(2-aminocycloheptyl)hept-6-ynamide
CID 114028619
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide (CID 94547428) is N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide is C=CCC(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide?
The InChIKey is OTPLMUUFVOFOOB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h2,8-9H,1,3-7,11H2,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide?
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide is sourced from PubChem (CID 94547428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).