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

C14H21Cl2NS — CID 43497782

IUPACN-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)sc1Cl)C1CCCCC1
InChIInChI=1S/C14H21Cl2NS/c1-2-8-17-13(10-6-4-3-5-7-10)11-9-12(15)18-14(11)16/h9-10,13,17H,2-8H2,1H3
InChIKeyYKIWHNZZBIBJHS-UHFFFAOYSA-N
MW306.30 g/mol
LogP5.68
Rot. Bonds5

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

N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (PubChem CID 43497782) has the molecular formula C14H21Cl2NS and a molecular weight of 306.30 g/mol. Its IUPAC name is N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
PubChem CID43497782
Molecular FormulaC14H21Cl2NS
Molecular Weight306.30 g/mol
Exact Mass305.08
IUPAC NameN-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)sc1Cl)C1CCCCC1
InChIInChI=1S/C14H21Cl2NS/c1-2-8-17-13(10-6-4-3-5-7-10)11-9-12(15)18-14(11)16/h9-10,13,17H,2-8H2,1H3
InChIKeyYKIWHNZZBIBJHS-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (CID 43497782) is N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cc(Cl)sc1Cl)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is YKIWHNZZBIBJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NS/c1-2-8-17-13(10-6-4-3-5-7-10)11-9-12(15)18-14(11)16/h9-10,13,17H,2-8H2,1H3.
What are the key properties of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine has a molecular weight of 306.30 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).