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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine
CID 65029704
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584771
1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273

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).