N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine

C17H24ClNOS — CID 115566785

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
SMILESCCCCCCCCNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C17H24ClNOS/c1-2-3-4-5-6-7-12-19-17(14-9-8-13-20-14)15-10-11-16(18)21-15/h8-11,13,17,19H,2-7,12H2,1H3
InChIKeyPDJVYGXJOFSSFE-UHFFFAOYSA-N
MW325.90 g/mol
LogP6.03
Rot. Bonds10

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine (PubChem CID 115566785) has the molecular formula C17H24ClNOS and a molecular weight of 325.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
PubChem CID115566785
Molecular FormulaC17H24ClNOS
Molecular Weight325.90 g/mol
Exact Mass325.13
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
SMILESCCCCCCCCNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C17H24ClNOS/c1-2-3-4-5-6-7-12-19-17(14-9-8-13-20-14)15-10-11-16(18)21-15/h8-11,13,17,19H,2-7,12H2,1H3
InChIKeyPDJVYGXJOFSSFE-UHFFFAOYSA-N
XLogP6.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.90
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]heptan-2-amine
CID 43778058
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324998
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine (CID 115566785) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine is CCCCCCCCNC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine?
The InChIKey is PDJVYGXJOFSSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNOS/c1-2-3-4-5-6-7-12-19-17(14-9-8-13-20-14)15-10-11-16(18)21-15/h8-11,13,17,19H,2-7,12H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine has a molecular weight of 325.90 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine is sourced from PubChem (CID 115566785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).