N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine

C13H23N3S — CID 54902452

IUPACN,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNC1CCNCC1)c1cccs1
InChIInChI=1S/C13H23N3S/c1-16(2)12(13-4-3-9-17-13)10-15-11-5-7-14-8-6-11/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3
InChIKeyWIGMVIMBKHJPHI-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.69
Rot. Bonds5

About N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 54902452) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID54902452
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNC1CCNCC1)c1cccs1
InChIInChI=1S/C13H23N3S/c1-16(2)12(13-4-3-9-17-13)10-15-11-5-7-14-8-6-11/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3
InChIKeyWIGMVIMBKHJPHI-UHFFFAOYSA-N
XLogP1.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 54981658
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
CID 119830049
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
N'-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 82686861
1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43637090
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62064545
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine (CID 54902452) is N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNC1CCNCC1)c1cccs1.
What is the InChIKey of N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is WIGMVIMBKHJPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-16(2)12(13-4-3-9-17-13)10-15-11-5-7-14-8-6-11/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 253.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 54902452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).