N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine

C13H20ClNS — CID 43427139

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-10(12-8-9-13(14)16-12)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3
InChIKeyOPIOXWSOZXTVBK-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.77
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine

N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine (PubChem CID 43427139) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
PubChem CID43427139
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-10(12-8-9-13(14)16-12)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3
InChIKeyOPIOXWSOZXTVBK-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
CID 62093216
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine (CID 43427139) is N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine is CC(NC1CCCCCC1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine?
The InChIKey is OPIOXWSOZXTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-10(12-8-9-13(14)16-12)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine?
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine has a molecular weight of 257.83 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 43427139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).