1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C16H28N2S — CID 104997127

IUPAC1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1csc(C)n1)CC1CCCCCC1
InChIInChI=1S/C16H28N2S/c1-3-17-15(11-16-12-19-13(2)18-16)10-14-8-6-4-5-7-9-14/h12,14-15,17H,3-11H2,1-2H3
InChIKeyXHJNWROPLAJOAT-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.33
Rot. Bonds6

About 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 104997127) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID104997127
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1csc(C)n1)CC1CCCCCC1
InChIInChI=1S/C16H28N2S/c1-3-17-15(11-16-12-19-13(2)18-16)10-14-8-6-4-5-7-9-14/h12,14-15,17H,3-11H2,1-2H3
InChIKeyXHJNWROPLAJOAT-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
[4-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-yl]hydrazine
CID 105214723
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
1-cyclobutyl-N-ethyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103164343
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799171
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 105159007

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 104997127) is 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCNC(Cc1csc(C)n1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is XHJNWROPLAJOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-17-15(11-16-12-19-13(2)18-16)10-14-8-6-4-5-7-9-14/h12,14-15,17H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 104997127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).