3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride

C13H22ClNOS — CID 115598283

IUPAC3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
SMILESCl.c1cc(CNCCCOC2CCCC2)cs1
InChIInChI=1S/C13H21NOS.ClH/c1-2-5-13(4-1)15-8-3-7-14-10-12-6-9-16-11-12;/h6,9,11,13-14H,1-5,7-8,10H2;1H
InChIKeyBVWFQTQDJXFOBP-UHFFFAOYSA-N
MW275.84 g/mol
LogP3.61
Rot. Bonds7

About 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride

3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 115598283) has the molecular formula C13H22ClNOS and a molecular weight of 275.84 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
PubChem CID115598283
Molecular FormulaC13H22ClNOS
Molecular Weight275.84 g/mol
Exact Mass275.11
IUPAC Name3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
SMILESCl.c1cc(CNCCCOC2CCCC2)cs1
InChIInChI=1S/C13H21NOS.ClH/c1-2-5-13(4-1)15-8-3-7-14-10-12-6-9-16-11-12;/h6,9,11,13-14H,1-5,7-8,10H2;1H
InChIKeyBVWFQTQDJXFOBP-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.84
LogP ≤ 53.61
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-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
1-(3-cyclopentyloxypropyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941394
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
1-(2-cycloheptyloxyethyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111575224
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride (CID 115598283) is 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride is Cl.c1cc(CNCCCOC2CCCC2)cs1.
What is the InChIKey of 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is BVWFQTQDJXFOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS.ClH/c1-2-5-13(4-1)15-8-3-7-14-10-12-6-9-16-11-12;/h6,9,11,13-14H,1-5,7-8,10H2;1H.
What are the key properties of 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 275.84 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 115598283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).