N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine

C13H20N2O — CID 104577646

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine
SMILESCc1noc(C)c1C(C)NC1C=CCCC1
InChIInChI=1S/C13H20N2O/c1-9(13-10(2)15-16-11(13)3)14-12-7-5-4-6-8-12/h5,7,9,12,14H,4,6,8H2,1-3H3
InChIKeyHIJAISUYTQHTBT-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.05
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 104577646) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID104577646
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine
SMILESCc1noc(C)c1C(C)NC1C=CCCC1
InChIInChI=1S/C13H20N2O/c1-9(13-10(2)15-16-11(13)3)14-12-7-5-4-6-8-12/h5,7,9,12,14H,4,6,8H2,1-3H3
InChIKeyHIJAISUYTQHTBT-UHFFFAOYSA-N
XLogP3.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanamine
CID 79237126
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448603
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
CID 104579144
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428578
3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 79462313
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998955
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 79236127
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 79231073

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine (CID 104577646) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine is Cc1noc(C)c1C(C)NC1C=CCCC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is HIJAISUYTQHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(13-10(2)15-16-11(13)3)14-12-7-5-4-6-8-12/h5,7,9,12,14H,4,6,8H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 104577646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).