(3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine

C9H15NS — CID 163554859

IUPAC(3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine
SMILESCC1CSC2=C1C(CN)CC2
InChIInChI=1S/C9H15NS/c1-6-5-11-8-3-2-7(4-10)9(6)8/h6-7H,2-5,10H2,1H3
InChIKeyFMEBKSQBUSWEPB-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.99
Rot. Bonds1

About (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine

(3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine (PubChem CID 163554859) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine
PubChem CID163554859
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine
SMILESCC1CSC2=C1C(CN)CC2
InChIInChI=1S/C9H15NS/c1-6-5-11-8-3-2-7(4-10)9(6)8/h6-7H,2-5,10H2,1H3
InChIKeyFMEBKSQBUSWEPB-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine?
The IUPAC name of (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine (CID 163554859) is (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine.
What is the SMILES notation for (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine?
The canonical SMILES for (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine is CC1CSC2=C1C(CN)CC2.
What is the InChIKey of (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine?
The InChIKey is FMEBKSQBUSWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6-5-11-8-3-2-7(4-10)9(6)8/h6-7H,2-5,10H2,1H3.
What are the key properties of (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine?
(3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine has a molecular weight of 169.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-4-yl)methanamine is sourced from PubChem (CID 163554859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).