N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine

C16H29N3S — CID 43308462

IUPACN,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(NCC(c1cccs1)N(C)C)C1CCCN(C)C1
InChIInChI=1S/C16H29N3S/c1-13(14-7-5-9-19(4)12-14)17-11-15(18(2)3)16-8-6-10-20-16/h6,8,10,13-15,17H,5,7,9,11-12H2,1-4H3
InChIKeyWSKFJCDNKDIWAL-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.67
Rot. Bonds6

About N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43308462) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43308462
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(NCC(c1cccs1)N(C)C)C1CCCN(C)C1
InChIInChI=1S/C16H29N3S/c1-13(14-7-5-9-19(4)12-14)17-11-15(18(2)3)16-8-6-10-20-16/h6,8,10,13-15,17H,5,7,9,11-12H2,1-4H3
InChIKeyWSKFJCDNKDIWAL-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 113429636
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
CID 43308440
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 124878292

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine (CID 43308462) is N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine is CC(NCC(c1cccs1)N(C)C)C1CCCN(C)C1.
What is the InChIKey of N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is WSKFJCDNKDIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-13(14-7-5-9-19(4)12-14)17-11-15(18(2)3)16-8-6-10-20-16/h6,8,10,13-15,17H,5,7,9,11-12H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 295.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43308462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).