N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine

C14H24N2S — CID 43363267

IUPACN,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(NCC(c1cccs1)N(C)C)C1(C)CC1
InChIInChI=1S/C14H24N2S/c1-11(14(2)7-8-14)15-10-12(16(3)4)13-6-5-9-17-13/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyAMRLXQXEKNUJHU-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.13
Rot. Bonds6

About N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43363267) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43363267
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(NCC(c1cccs1)N(C)C)C1(C)CC1
InChIInChI=1S/C14H24N2S/c1-11(14(2)7-8-14)15-10-12(16(3)4)13-6-5-9-17-13/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyAMRLXQXEKNUJHU-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine 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

N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
CID 65332852
(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398407
(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398141
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43106519
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 104652184
N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116534134
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885
N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 146133848

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine (CID 43363267) is N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine is CC(NCC(c1cccs1)N(C)C)C1(C)CC1.
What is the InChIKey of N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is AMRLXQXEKNUJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(14(2)7-8-14)15-10-12(16(3)4)13-6-5-9-17-13/h5-6,9,11-12,15H,7-8,10H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43363267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).