N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine

C12H18ClNS — CID 43497051

IUPACN-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C12H18ClNS/c1-2-8-14-12(9-4-3-5-9)10-6-7-11(13)15-10/h6-7,9,12,14H,2-5,8H2,1H3
InChIKeyGKYDGRNFGFHFJM-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.24
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine

N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine (PubChem CID 43497051) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
PubChem CID43497051
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C12H18ClNS/c1-2-8-14-12(9-4-3-5-9)10-6-7-11(13)15-10/h6-7,9,12,14H,2-5,8H2,1H3
InChIKeyGKYDGRNFGFHFJM-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177424
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 107368903
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine (CID 43497051) is N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine is CCCNC(c1ccc(Cl)s1)C1CCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine?
The InChIKey is GKYDGRNFGFHFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-2-8-14-12(9-4-3-5-9)10-6-7-11(13)15-10/h6-7,9,12,14H,2-5,8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine?
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine is sourced from PubChem (CID 43497051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).