7-thiophen-2-ylheptan-3-amine

C11H19NS — CID 64505571

IUPAC7-thiophen-2-ylheptan-3-amine
SMILESCCC(N)CCCCc1cccs1
InChIInChI=1S/C11H19NS/c1-2-10(12)6-3-4-7-11-8-5-9-13-11/h5,8-10H,2-4,6-7,12H2,1H3
InChIKeyRVWRBCYYWYZUSU-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.20
Rot. Bonds6

About 7-thiophen-2-ylheptan-3-amine

7-thiophen-2-ylheptan-3-amine (PubChem CID 64505571) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 7-thiophen-2-ylheptan-3-amine.

Molecular Properties

Compound Name7-thiophen-2-ylheptan-3-amine
PubChem CID64505571
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name7-thiophen-2-ylheptan-3-amine
SMILESCCC(N)CCCCc1cccs1
InChIInChI=1S/C11H19NS/c1-2-10(12)6-3-4-7-11-8-5-9-13-11/h5,8-10H,2-4,6-7,12H2,1H3
InChIKeyRVWRBCYYWYZUSU-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

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-ylheptan-3-amine?
The IUPAC name of 7-thiophen-2-ylheptan-3-amine (CID 64505571) is 7-thiophen-2-ylheptan-3-amine.
What is the SMILES notation for 7-thiophen-2-ylheptan-3-amine?
The canonical SMILES for 7-thiophen-2-ylheptan-3-amine is CCC(N)CCCCc1cccs1.
What is the InChIKey of 7-thiophen-2-ylheptan-3-amine?
The InChIKey is RVWRBCYYWYZUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-2-10(12)6-3-4-7-11-8-5-9-13-11/h5,8-10H,2-4,6-7,12H2,1H3.
What are the key properties of 7-thiophen-2-ylheptan-3-amine?
7-thiophen-2-ylheptan-3-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 7-thiophen-2-ylheptan-3-amine is sourced from PubChem (CID 64505571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).