N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine

C12H17Cl2NS — CID 43497808

IUPACN-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)sc1Cl)C1CCC1
InChIInChI=1S/C12H17Cl2NS/c1-2-6-15-11(8-4-3-5-8)9-7-10(13)16-12(9)14/h7-8,11,15H,2-6H2,1H3
InChIKeyKDKUAPJNEFJADA-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.90
Rot. Bonds5

About N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine

N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (PubChem CID 43497808) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
PubChem CID43497808
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC NameN-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)sc1Cl)C1CCC1
InChIInChI=1S/C12H17Cl2NS/c1-2-6-15-11(8-4-3-5-8)9-7-10(13)16-12(9)14/h7-8,11,15H,2-6H2,1H3
InChIKeyKDKUAPJNEFJADA-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (CID 43497808) is N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cc(Cl)sc1Cl)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is KDKUAPJNEFJADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-2-6-15-11(8-4-3-5-8)9-7-10(13)16-12(9)14/h7-8,11,15H,2-6H2,1H3.
What are the key properties of N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine has a molecular weight of 278.25 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).