1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine

C17H30N2S — CID 65088642

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H30N2S/c1-5-7-13-8-6-10-17(18,11-9-13)15-19-14(12-20-15)16(2,3)4/h12-13H,5-11,18H2,1-4H3
InChIKeyRKAXPNOQIPBFPG-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.97
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine (PubChem CID 65088642) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
PubChem CID65088642
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H30N2S/c1-5-7-13-8-6-10-17(18,11-9-13)15-19-14(12-20-15)16(2,3)4/h12-13H,5-11,18H2,1-4H3
InChIKeyRKAXPNOQIPBFPG-UHFFFAOYSA-N
XLogP4.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine (CID 65088642) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine?
The InChIKey is RKAXPNOQIPBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-7-13-8-6-10-17(18,11-9-13)15-19-14(12-20-15)16(2,3)4/h12-13H,5-11,18H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65088642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).