3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine

C14H23NOS — CID 28720110

IUPAC3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)cs1
InChIInChI=1S/C14H23NOS/c1-2-5-14(6-3-1)16-9-4-8-15-11-13-7-10-17-12-13/h7,10,12,14-15H,1-6,8-9,11H2
InChIKeyJCSCVNYSAAWJQV-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.58
Rot. Bonds7

About 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine

3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 28720110) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID28720110
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)cs1
InChIInChI=1S/C14H23NOS/c1-2-5-14(6-3-1)16-9-4-8-15-11-13-7-10-17-12-13/h7,10,12,14-15H,1-6,8-9,11H2
InChIKeyJCSCVNYSAAWJQV-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.58
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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Related Compounds

3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115598283
1-(3-cyclopentyloxypropyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941394
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
1-(2-cycloheptyloxyethyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111575224
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233320

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine (CID 28720110) is 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine is c1cc(CNCCCOC2CCCCC2)cs1.
What is the InChIKey of 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is JCSCVNYSAAWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-5-14(6-3-1)16-9-4-8-15-11-13-7-10-17-12-13/h7,10,12,14-15H,1-6,8-9,11H2.
What are the key properties of 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine?
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 28720110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).