1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C18H32N2S — CID 104575722

IUPAC1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C(C)C)cs1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2S/c1-12(2)15-11-21-17(20-15)16(19-6)13-7-9-14(10-8-13)18(3,4)5/h11-14,16,19H,7-10H2,1-6H3
InChIKeyQYBORQNZQFYGOR-UHFFFAOYSA-N
MW308.53 g/mol
LogP5.38
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 104575722) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID104575722
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C(C)C)cs1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2S/c1-12(2)15-11-21-17(20-15)16(19-6)13-7-9-14(10-8-13)18(3,4)5/h11-14,16,19H,7-10H2,1-6H3
InChIKeyQYBORQNZQFYGOR-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 104575722) is 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CNC(c1nc(C(C)C)cs1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is QYBORQNZQFYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-12(2)15-11-21-17(20-15)16(19-6)13-7-9-14(10-8-13)18(3,4)5/h11-14,16,19H,7-10H2,1-6H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 308.53 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 104575722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).