3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H26N2OS — CID 43770856

IUPAC3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncsc1C(C)NCCCOC1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-12(15-13(2)17-11-19-15)16-9-6-10-18-14-7-4-3-5-8-14/h11-12,14,16H,3-10H2,1-2H3
InChIKeyDWFLATMVYTTXOS-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.84
Rot. Bonds7

About 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 43770856) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID43770856
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncsc1C(C)NCCCOC1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-12(15-13(2)17-11-19-15)16-9-6-10-18-14-7-4-3-5-8-14/h11-12,14,16H,3-10H2,1-2H3
InChIKeyDWFLATMVYTTXOS-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43768380
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719853
3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 61333751
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
CID 43104261
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
CID 125443596
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43764830
3-cyclohexyloxy-N-(dicyclopropylmethyl)propan-1-amine
CID 43362870
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 43770856) is 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is Cc1ncsc1C(C)NCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is DWFLATMVYTTXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(15-13(2)17-11-19-15)16-9-6-10-18-14-7-4-3-5-8-14/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43770856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).