1-thiophen-3-ylundecan-2-amine

C15H27NS — CID 65427688

IUPAC1-thiophen-3-ylundecan-2-amine
SMILESCCCCCCCCCC(N)Cc1ccsc1
InChIInChI=1S/C15H27NS/c1-2-3-4-5-6-7-8-9-15(16)12-14-10-11-17-13-14/h10-11,13,15H,2-9,12,16H2,1H3
InChIKeyAWAVVEUVXHPPCB-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.76
Rot. Bonds10

About 1-thiophen-3-ylundecan-2-amine

1-thiophen-3-ylundecan-2-amine (PubChem CID 65427688) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 1-thiophen-3-ylundecan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-ylundecan-2-amine
PubChem CID65427688
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name1-thiophen-3-ylundecan-2-amine
SMILESCCCCCCCCCC(N)Cc1ccsc1
InChIInChI=1S/C15H27NS/c1-2-3-4-5-6-7-8-9-15(16)12-14-10-11-17-13-14/h10-11,13,15H,2-9,12,16H2,1H3
InChIKeyAWAVVEUVXHPPCB-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.76
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

1-thiophen-3-ylheptan-2-amine
CID 61077742
1-thiophen-3-ylnonan-3-amine
CID 115857036
3-(2-hexyldecyl)thiophene
CID 67456553
1-thiophen-3-yltetradecan-2-ol
CID 105090220
3-(2-bromoicosyl)thiophene
CID 89438780
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2,3-dimethyloctyl)thiophene
CID 22501098
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
4-(2-aminooctyl)phenol
CID 69403996
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
3-heptylthiophene;3-hexylthiophene
CID 159152668
1-(4-fluorophenyl)undecan-2-amine
CID 63412478

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylundecan-2-amine?
The IUPAC name of 1-thiophen-3-ylundecan-2-amine (CID 65427688) is 1-thiophen-3-ylundecan-2-amine.
What is the SMILES notation for 1-thiophen-3-ylundecan-2-amine?
The canonical SMILES for 1-thiophen-3-ylundecan-2-amine is CCCCCCCCCC(N)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-ylundecan-2-amine?
The InChIKey is AWAVVEUVXHPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-2-3-4-5-6-7-8-9-15(16)12-14-10-11-17-13-14/h10-11,13,15H,2-9,12,16H2,1H3.
What are the key properties of 1-thiophen-3-ylundecan-2-amine?
1-thiophen-3-ylundecan-2-amine has a molecular weight of 253.45 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylundecan-2-amine is sourced from PubChem (CID 65427688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).