N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine

C13H20ClNS — CID 102765283

IUPACN-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
SMILESCc1cc(C(C)(C)CCNC2CC2)sc1Cl
InChIInChI=1S/C13H20ClNS/c1-9-8-11(16-12(9)14)13(2,3)6-7-15-10-4-5-10/h8,10,15H,4-7H2,1-3H3
InChIKeyLSEINZMKGHUVSA-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.13
Rot. Bonds5

About N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine

N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 102765283) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
PubChem CID102765283
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
SMILESCc1cc(C(C)(C)CCNC2CC2)sc1Cl
InChIInChI=1S/C13H20ClNS/c1-9-8-11(16-12(9)14)13(2,3)6-7-15-10-4-5-10/h8,10,15H,4-7H2,1-3H3
InChIKeyLSEINZMKGHUVSA-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-[2-[2-(5-chloro-4-methylthiophen-2-yl)ethoxy]ethyl]cyclopropanamine
CID 102765255
N-[3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutyl]cyclopropanamine
CID 79830126
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 115206808
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 96662677
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
CID 114691509
3-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 79990859

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine (CID 102765283) is N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine is Cc1cc(C(C)(C)CCNC2CC2)sc1Cl.
What is the InChIKey of N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is LSEINZMKGHUVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-9-8-11(16-12(9)14)13(2,3)6-7-15-10-4-5-10/h8,10,15H,4-7H2,1-3H3.
What are the key properties of N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine?
N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine has a molecular weight of 257.83 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 102765283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).