Cambridge id 5425530

C13H22N2S — CID 757773

IUPACN,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCC1=CC=C(S1)CN(C)C2CCN(CC2)C
InChIInChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3
InChIKeyRPVACLUYJCXYEJ-UHFFFAOYSA-N
MW238.39 g/mol
LogP2.50
Rot. Bonds3

About Cambridge id 5425530

Cambridge id 5425530 (PubChem CID 757773) has the molecular formula C13H22N2S and a molecular weight of 238.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameCambridge id 5425530
PubChem CID757773
Molecular FormulaC13H22N2S
Molecular Weight238.39 g/mol
Exact Mass238.15
IUPAC NameN,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCC1=CC=C(S1)CN(C)C2CCN(CC2)C
InChIInChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3
InChIKeyRPVACLUYJCXYEJ-UHFFFAOYSA-N
XLogP2.50
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity214

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
4-[[5-(Thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
CID 155558013
1-Methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine
CID 155539892
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophen-2-yl-piperazine
CID 2771726
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
1-(3-Thiophen-2-ylpropyl)piperidine
CID 240850
1-(2-Thienylmethyl)azepane
CID 791429
2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(Dimethylamino)-2-(thiophen-2-yl)acetonitrile
CID 10702333
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108

Frequently Asked Questions

What is the IUPAC name of Cambridge id 5425530?
The IUPAC name of Cambridge id 5425530 (CID 757773) is N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for Cambridge id 5425530?
The canonical SMILES for Cambridge id 5425530 is CC1=CC=C(S1)CN(C)C2CCN(CC2)C.
What is the InChIKey of Cambridge id 5425530?
The InChIKey is RPVACLUYJCXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3.
What are the key properties of Cambridge id 5425530?
Cambridge id 5425530 has a molecular weight of 238.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cambridge id 5425530 is sourced from PubChem (CID 757773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).