1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride

C12H21ClN2S — CID 115584787

IUPAC1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNCc1ccsc1)C1CC1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-14(2)12(11-3-4-11)8-13-7-10-5-6-15-9-10;/h5-6,9,11-13H,3-4,7-8H2,1-2H3;1H
InChIKeyYDQIFQTVZLHCKC-UHFFFAOYSA-N
MW260.83 g/mol
LogP2.60
Rot. Bonds6

About 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride

1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 115584787) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride
PubChem CID115584787
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNCc1ccsc1)C1CC1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-14(2)12(11-3-4-11)8-13-7-10-5-6-15-9-10;/h5-6,9,11-13H,3-4,7-8H2,1-2H3;1H
InChIKeyYDQIFQTVZLHCKC-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride (CID 115584787) is 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride is CN(C)C(CNCc1ccsc1)C1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is YDQIFQTVZLHCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.ClH/c1-14(2)12(11-3-4-11)8-13-7-10-5-6-15-9-10;/h5-6,9,11-13H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 260.83 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115584787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).