1-thiophen-3-ylheptan-2-amine

C11H19NS — CID 61077742

IUPAC1-thiophen-3-ylheptan-2-amine
SMILESCCCCCC(N)Cc1ccsc1
InChIInChI=1S/C11H19NS/c1-2-3-4-5-11(12)8-10-6-7-13-9-10/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyVHAMALXSJPOTFP-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.20
Rot. Bonds6

About 1-thiophen-3-ylheptan-2-amine

1-thiophen-3-ylheptan-2-amine (PubChem CID 61077742) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 1-thiophen-3-ylheptan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-ylheptan-2-amine
PubChem CID61077742
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name1-thiophen-3-ylheptan-2-amine
SMILESCCCCCC(N)Cc1ccsc1
InChIInChI=1S/C11H19NS/c1-2-3-4-5-11(12)8-10-6-7-13-9-10/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyVHAMALXSJPOTFP-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.20
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-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylnonan-3-amine
CID 115857036
3-(2-hexyldecyl)thiophene
CID 67456553
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2-bromoicosyl)thiophene
CID 89438780
1-thiophen-3-yltetradecan-2-ol
CID 105090220
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-ylheptan-2-amine?
The IUPAC name of 1-thiophen-3-ylheptan-2-amine (CID 61077742) is 1-thiophen-3-ylheptan-2-amine.
What is the SMILES notation for 1-thiophen-3-ylheptan-2-amine?
The canonical SMILES for 1-thiophen-3-ylheptan-2-amine is CCCCCC(N)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-ylheptan-2-amine?
The InChIKey is VHAMALXSJPOTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-2-3-4-5-11(12)8-10-6-7-13-9-10/h6-7,9,11H,2-5,8,12H2,1H3.
What are the key properties of 1-thiophen-3-ylheptan-2-amine?
1-thiophen-3-ylheptan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylheptan-2-amine is sourced from PubChem (CID 61077742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).