N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine

C11H20ClNS — CID 106438274

IUPACN-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCC(C)=CCl
InChIInChI=1S/C11H20ClNS/c1-3-14-11-6-4-5-10(11)13-8-9(2)7-12/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyQBGCOAAAKZVOHO-UHFFFAOYSA-N
MW233.81 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine

N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine (PubChem CID 106438274) has the molecular formula C11H20ClNS and a molecular weight of 233.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine
PubChem CID106438274
Molecular FormulaC11H20ClNS
Molecular Weight233.81 g/mol
Exact Mass233.10
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCC(C)=CCl
InChIInChI=1S/C11H20ClNS/c1-3-14-11-6-4-5-10(11)13-8-9(2)7-12/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyQBGCOAAAKZVOHO-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068548
N-(2-methylidenebutyl)-2-methylsulfanylcyclopentan-1-amine
CID 105861272
N-[(E)-3-chloroprop-2-enyl]-2-methylsulfanylcyclopentan-1-amine
CID 105861311
N-(2,3-dichloroprop-2-enyl)-2-methylsulfanylcyclopentan-1-amine
CID 105861433
N-(2-methylprop-2-enyl)-2-methylsulfanylcyclopentan-1-amine
CID 105861478
N-[(E)-4-chlorobut-2-enyl]-2-methylsulfanylcyclopentan-1-amine
CID 105861488
N-(2-chloroprop-2-enyl)-2-methylsulfanylcyclopentan-1-amine
CID 105861570
2-ethylsulfanyl-N-(2-methylidenebutyl)cyclopentan-1-amine
CID 105862106
N-[(E)-3-chloroprop-2-enyl]-2-ethylsulfanylcyclopentan-1-amine
CID 105862138
N-(2,3-dichloroprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine
CID 105862266
2-ethylsulfanyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 105862307
N-[(E)-4-chlorobut-2-enyl]-2-ethylsulfanylcyclopentan-1-amine
CID 105862317

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine (CID 106438274) is N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine is CCSC1CCCC1NCC(C)=CCl.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine?
The InChIKey is QBGCOAAAKZVOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNS/c1-3-14-11-6-4-5-10(11)13-8-9(2)7-12/h7,10-11,13H,3-6,8H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine?
N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine has a molecular weight of 233.81 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-2-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 106438274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).