[4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine

C16H28N2S — CID 63019455

IUPAC[4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2cnc(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-3-4-5-14-6-8-16(12-17,9-7-14)10-15-11-18-13(2)19-15/h11,14H,3-10,12,17H2,1-2H3
InChIKeyQDYPAJCAFWFIBU-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.32
Rot. Bonds6

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

[4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (PubChem CID 63019455) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
PubChem CID63019455
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name[4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2cnc(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-3-4-5-14-6-8-16(12-17,9-7-14)10-15-11-18-13(2)19-15/h11,14H,3-10,12,17H2,1-2H3
InChIKeyQDYPAJCAFWFIBU-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (CID 63019455) is [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is CCCCC1CCC(CN)(Cc2cnc(C)s2)CC1.
What is the InChIKey of [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The InChIKey is QDYPAJCAFWFIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-4-5-14-6-8-16(12-17,9-7-14)10-15-11-18-13(2)19-15/h11,14H,3-10,12,17H2,1-2H3.
What are the key properties of [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
[4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine has a molecular weight of 280.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63019455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).