N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine

C13H20ClNS — CID 65308853

IUPACN-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
SMILESClc1ccc(CCCCCCNC2CC2)s1
InChIInChI=1S/C13H20ClNS/c14-13-9-8-12(16-13)5-3-1-2-4-10-15-11-6-7-11/h8-9,11,15H,1-7,10H2
InChIKeyYQQNKPWIDSGXIS-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.26
Rot. Bonds8

About N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine

N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine (PubChem CID 65308853) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
PubChem CID65308853
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
SMILESClc1ccc(CCCCCCNC2CC2)s1
InChIInChI=1S/C13H20ClNS/c14-13-9-8-12(16-13)5-3-1-2-4-10-15-11-6-7-11/h8-9,11,15H,1-7,10H2
InChIKeyYQQNKPWIDSGXIS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.26
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

N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
CID 65308377
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide
CID 146105735
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine (CID 65308853) is N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine is Clc1ccc(CCCCCCNC2CC2)s1.
What is the InChIKey of N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine?
The InChIKey is YQQNKPWIDSGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c14-13-9-8-12(16-13)5-3-1-2-4-10-15-11-6-7-11/h8-9,11,15H,1-7,10H2.
What are the key properties of N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine?
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine has a molecular weight of 257.83 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).