N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride

C8H12ClNS — CID 17332354

IUPACN-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.c1cc(CNC2CC2)cs1
InChIInChI=1S/C8H11NS.ClH/c1-2-8(1)9-5-7-3-4-10-6-7;/h3-4,6,8-9H,1-2,5H2;1H
InChIKeyNKJUVPVVPGPVOB-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.42
Rot. Bonds3

About N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride

N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride (PubChem CID 17332354) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride
PubChem CID17332354
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC NameN-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.c1cc(CNC2CC2)cs1
InChIInChI=1S/C8H11NS.ClH/c1-2-8(1)9-5-7-3-4-10-6-7;/h3-4,6,8-9H,1-2,5H2;1H
InChIKeyNKJUVPVVPGPVOB-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride (CID 17332354) is N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride is Cl.c1cc(CNC2CC2)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride?
The InChIKey is NKJUVPVVPGPVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-2-8(1)9-5-7-3-4-10-6-7;/h3-4,6,8-9H,1-2,5H2;1H.
What are the key properties of N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride?
N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 17332354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).