1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine

C16H26N2S — CID 116661749

IUPAC1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1nc(C)c(C)s1
InChIInChI=1S/C16H26N2S/c1-4-17-15(10-14-8-6-5-7-9-14)11-16-18-12(2)13(3)19-16/h8,15,17H,4-7,9-11H2,1-3H3
InChIKeyTUSCOGJADSXOMT-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.17
Rot. Bonds6

About 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine

1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine (PubChem CID 116661749) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
PubChem CID116661749
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1nc(C)c(C)s1
InChIInChI=1S/C16H26N2S/c1-4-17-15(10-14-8-6-5-7-9-14)11-16-18-12(2)13(3)19-16/h8,15,17H,4-7,9-11H2,1-3H3
InChIKeyTUSCOGJADSXOMT-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.17
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-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661823
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661822
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 116661937
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-5-methoxyhexan-2-amine
CID 105171727
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
CID 105270009

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine (CID 116661749) is 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine is CCNC(CC1=CCCCC1)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine?
The InChIKey is TUSCOGJADSXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-17-15(10-14-8-6-5-7-9-14)11-16-18-12(2)13(3)19-16/h8,15,17H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine?
1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 116661749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).