1-thiophen-3-ylhexan-1-amine;hydrochloride

C10H18ClNS — CID 86262846

IUPAC1-thiophen-3-ylhexan-1-amine;hydrochloride
SMILESCCCCCC(N)c1ccsc1.Cl
InChIInChI=1S/C10H17NS.ClH/c1-2-3-4-5-10(11)9-6-7-12-8-9;/h6-8,10H,2-5,11H2,1H3;1H
InChIKeyPNBFHEJSASWIBA-UHFFFAOYSA-N
MW219.78 g/mol
LogP3.75
Rot. Bonds5

About 1-thiophen-3-ylhexan-1-amine;hydrochloride

1-thiophen-3-ylhexan-1-amine;hydrochloride (PubChem CID 86262846) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is 1-thiophen-3-ylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-thiophen-3-ylhexan-1-amine;hydrochloride
PubChem CID86262846
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name1-thiophen-3-ylhexan-1-amine;hydrochloride
SMILESCCCCCC(N)c1ccsc1.Cl
InChIInChI=1S/C10H17NS.ClH/c1-2-3-4-5-10(11)9-6-7-12-8-9;/h6-8,10H,2-5,11H2,1H3;1H
InChIKeyPNBFHEJSASWIBA-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
3-hexan-2-ylthiophene
CID 18454785
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
4-(1-aminododecyl)phenol
CID 174770403
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
1-thiophen-3-ylundecan-2-amine
CID 65427688

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylhexan-1-amine;hydrochloride?
The IUPAC name of 1-thiophen-3-ylhexan-1-amine;hydrochloride (CID 86262846) is 1-thiophen-3-ylhexan-1-amine;hydrochloride.
What is the SMILES notation for 1-thiophen-3-ylhexan-1-amine;hydrochloride?
The canonical SMILES for 1-thiophen-3-ylhexan-1-amine;hydrochloride is CCCCCC(N)c1ccsc1.Cl.
What is the InChIKey of 1-thiophen-3-ylhexan-1-amine;hydrochloride?
The InChIKey is PNBFHEJSASWIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS.ClH/c1-2-3-4-5-10(11)9-6-7-12-8-9;/h6-8,10H,2-5,11H2,1H3;1H.
What are the key properties of 1-thiophen-3-ylhexan-1-amine;hydrochloride?
1-thiophen-3-ylhexan-1-amine;hydrochloride has a molecular weight of 219.78 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylhexan-1-amine;hydrochloride is sourced from PubChem (CID 86262846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).