[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine

C14H24N2S — CID 112645146

IUPAC[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(Cc2cncs2)CC1
InChIInChI=1S/C14H24N2S/c1-11(2)12-3-5-14(9-15,6-4-12)7-13-8-16-10-17-13/h8,10-12H,3-7,9,15H2,1-2H3
InChIKeyPNHNVCDLNUQEQR-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.48
Rot. Bonds4

About [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine

[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine (PubChem CID 112645146) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
PubChem CID112645146
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(Cc2cncs2)CC1
InChIInChI=1S/C14H24N2S/c1-11(2)12-3-5-14(9-15,6-4-12)7-13-8-16-10-17-13/h8,10-12H,3-7,9,15H2,1-2H3
InChIKeyPNHNVCDLNUQEQR-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine (CID 112645146) is [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine is CC(C)C1CCC(CN)(Cc2cncs2)CC1.
What is the InChIKey of [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
The InChIKey is PNHNVCDLNUQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(2)12-3-5-14(9-15,6-4-12)7-13-8-16-10-17-13/h8,10-12H,3-7,9,15H2,1-2H3.
What are the key properties of [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 112645146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).