2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride

C9H16ClNS — CID 17291253

IUPAC2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(C)CNCc1cccs1.Cl
InChIInChI=1S/C9H15NS.ClH/c1-8(2)6-10-7-9-4-3-5-11-9;/h3-5,8,10H,6-7H2,1-2H3;1H
InChIKeyRGLCAGSZFHYHAX-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.92
Rot. Bonds4

About 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride

2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 17291253) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
PubChem CID17291253
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(C)CNCc1cccs1.Cl
InChIInChI=1S/C9H15NS.ClH/c1-8(2)6-10-7-9-4-3-5-11-9;/h3-5,8,10H,6-7H2,1-2H3;1H
InChIKeyRGLCAGSZFHYHAX-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride (CID 17291253) is 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride is CC(C)CNCc1cccs1.Cl.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is RGLCAGSZFHYHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.ClH/c1-8(2)6-10-7-9-4-3-5-11-9;/h3-5,8,10H,6-7H2,1-2H3;1H.
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride?
2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 205.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 17291253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).