N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C13H20N2S — CID 115757082

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCC2CC=CCC2)s1
InChIInChI=1S/C13H20N2S/c1-10-8-15-13(16-10)11(2)14-9-12-6-4-3-5-7-12/h3-4,8,11-12,14H,5-7,9H2,1-2H3
InChIKeyICSQBVXOCLNBCT-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.46
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115757082) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115757082
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCC2CC=CCC2)s1
InChIInChI=1S/C13H20N2S/c1-10-8-15-13(16-10)11(2)14-9-12-6-4-3-5-7-12/h3-4,8,11-12,14H,5-7,9H2,1-2H3
InChIKeyICSQBVXOCLNBCT-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 75376608
2-(4-fluorocyclohexa-2,4-dien-1-yl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanimidamide
CID 135269122
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104212743
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104212901
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104212902
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104213017
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104213185
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104213186
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104463230
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104463231
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104463235

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 115757082) is N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCC2CC=CCC2)s1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ICSQBVXOCLNBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-8-15-13(16-10)11(2)14-9-12-6-4-3-5-7-12/h3-4,8,11-12,14H,5-7,9H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115757082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).