4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

C17H30N2S — CID 63405391

IUPAC4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCCNC1(c2nccs2)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H30N2S/c1-5-11-19-17(15-18-12-13-20-15)9-7-14(8-10-17)16(3,4)6-2/h12-14,19H,5-11H2,1-4H3
InChIKeyGEOBRGWCNXISFV-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.96
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 63405391) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID63405391
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCCNC1(c2nccs2)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H30N2S/c1-5-11-19-17(15-18-12-13-20-15)9-7-14(8-10-17)16(3,4)6-2/h12-14,19H,5-11H2,1-4H3
InChIKeyGEOBRGWCNXISFV-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (CID 63405391) is 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is CCCNC1(c2nccs2)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is GEOBRGWCNXISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-11-19-17(15-18-12-13-20-15)9-7-14(8-10-17)16(3,4)6-2/h12-14,19H,5-11H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63405391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).