N-(1-thiophen-2-ylbutyl)decan-1-amine

C18H33NS — CID 63491380

IUPACN-(1-thiophen-2-ylbutyl)decan-1-amine
SMILESCCCCCCCCCCNC(CCC)c1cccs1
InChIInChI=1S/C18H33NS/c1-3-5-6-7-8-9-10-11-15-19-17(13-4-2)18-14-12-16-20-18/h12,14,16-17,19H,3-11,13,15H2,1-2H3
InChIKeyJDPDAPPOSURBPG-UHFFFAOYSA-N
MW295.54 g/mol
LogP6.32
Rot. Bonds13

About N-(1-thiophen-2-ylbutyl)decan-1-amine

N-(1-thiophen-2-ylbutyl)decan-1-amine (PubChem CID 63491380) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)decan-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)decan-1-amine
PubChem CID63491380
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC NameN-(1-thiophen-2-ylbutyl)decan-1-amine
SMILESCCCCCCCCCCNC(CCC)c1cccs1
InChIInChI=1S/C18H33NS/c1-3-5-6-7-8-9-10-11-15-19-17(13-4-2)18-14-12-16-20-18/h12,14,16-17,19H,3-11,13,15H2,1-2H3
InChIKeyJDPDAPPOSURBPG-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 56.32
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',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-(butylamino)-3-thiophen-2-ylpropanoic acid
CID 43727779
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)decan-1-amine?
The IUPAC name of N-(1-thiophen-2-ylbutyl)decan-1-amine (CID 63491380) is N-(1-thiophen-2-ylbutyl)decan-1-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)decan-1-amine?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)decan-1-amine is CCCCCCCCCCNC(CCC)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)decan-1-amine?
The InChIKey is JDPDAPPOSURBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-3-5-6-7-8-9-10-11-15-19-17(13-4-2)18-14-12-16-20-18/h12,14,16-17,19H,3-11,13,15H2,1-2H3.
What are the key properties of N-(1-thiophen-2-ylbutyl)decan-1-amine?
N-(1-thiophen-2-ylbutyl)decan-1-amine has a molecular weight of 295.54 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)decan-1-amine is sourced from PubChem (CID 63491380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).