N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine

C15H26N2S — CID 63019281

IUPACN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cnc(C)s2)CCCCC1
InChIInChI=1S/C15H26N2S/c1-3-9-16-12-15(7-5-4-6-8-15)10-14-11-17-13(2)18-14/h11,16H,3-10,12H2,1-2H3
InChIKeyDNCTVILDDVDDPV-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.94
Rot. Bonds6

About N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 63019281) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID63019281
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cnc(C)s2)CCCCC1
InChIInChI=1S/C15H26N2S/c1-3-9-16-12-15(7-5-4-6-8-15)10-14-11-17-13(2)18-14/h11,16H,3-10,12H2,1-2H3
InChIKeyDNCTVILDDVDDPV-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine (CID 63019281) is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(Cc2cnc(C)s2)CCCCC1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is DNCTVILDDVDDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-9-16-12-15(7-5-4-6-8-15)10-14-11-17-13(2)18-14/h11,16H,3-10,12H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63019281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).