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

C15H24ClNS — CID 63507651

IUPACN-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C15H24ClNS/c1-2-10-17-12-15(8-4-3-5-9-15)11-13-6-7-14(16)18-13/h6-7,17H,2-5,8-12H2,1H3
InChIKeyWFFXOPRIUAVKEE-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.89
Rot. Bonds6

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

N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 63507651) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID63507651
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC NameN-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C15H24ClNS/c1-2-10-17-12-15(8-4-3-5-9-15)11-13-6-7-14(16)18-13/h6-7,17H,2-5,8-12H2,1H3
InChIKeyWFFXOPRIUAVKEE-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66023790
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818
1-(5-chlorothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246177
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 115244292

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine (CID 63507651) is N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(Cc2ccc(Cl)s2)CCCCC1.
What is the InChIKey of N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is WFFXOPRIUAVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-2-10-17-12-15(8-4-3-5-9-15)11-13-6-7-14(16)18-13/h6-7,17H,2-5,8-12H2,1H3.
What are the key properties of N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 285.88 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63507651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).