N-propyl-1-thiophen-2-yldecan-3-amine

C17H31NS — CID 115860884

IUPACN-propyl-1-thiophen-2-yldecan-3-amine
SMILESCCCCCCCC(CCc1cccs1)NCCC
InChIInChI=1S/C17H31NS/c1-3-5-6-7-8-10-16(18-14-4-2)12-13-17-11-9-15-19-17/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3
InChIKeyRDULSPKDWFMBLC-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.41
Rot. Bonds12

About N-propyl-1-thiophen-2-yldecan-3-amine

N-propyl-1-thiophen-2-yldecan-3-amine (PubChem CID 115860884) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-propyl-1-thiophen-2-yldecan-3-amine.

Molecular Properties

Compound NameN-propyl-1-thiophen-2-yldecan-3-amine
PubChem CID115860884
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-propyl-1-thiophen-2-yldecan-3-amine
SMILESCCCCCCCC(CCc1cccs1)NCCC
InChIInChI=1S/C17H31NS/c1-3-5-6-7-8-10-16(18-14-4-2)12-13-17-11-9-15-19-17/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3
InChIKeyRDULSPKDWFMBLC-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-1-thiophen-2-yldecan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
CID 105137843
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thiophen-2-yldecan-3-amine?
The IUPAC name of N-propyl-1-thiophen-2-yldecan-3-amine (CID 115860884) is N-propyl-1-thiophen-2-yldecan-3-amine.
What is the SMILES notation for N-propyl-1-thiophen-2-yldecan-3-amine?
The canonical SMILES for N-propyl-1-thiophen-2-yldecan-3-amine is CCCCCCCC(CCc1cccs1)NCCC.
What is the InChIKey of N-propyl-1-thiophen-2-yldecan-3-amine?
The InChIKey is RDULSPKDWFMBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-5-6-7-8-10-16(18-14-4-2)12-13-17-11-9-15-19-17/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3.
What are the key properties of N-propyl-1-thiophen-2-yldecan-3-amine?
N-propyl-1-thiophen-2-yldecan-3-amine has a molecular weight of 281.51 g/mol, XLogP of 5.41, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thiophen-2-yldecan-3-amine is sourced from PubChem (CID 115860884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).