N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine

C16H26N2S — CID 62212509

IUPACN-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESc1cc(CN(CCCC2CCCCN2)C2CC2)cs1
InChIInChI=1S/C16H26N2S/c1-2-9-17-15(4-1)5-3-10-18(16-6-7-16)12-14-8-11-19-13-14/h8,11,13,15-17H,1-7,9-10,12H2
InChIKeyRVLDPAZMEPICOU-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.63
Rot. Bonds7

About N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine

N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 62212509) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID62212509
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESc1cc(CN(CCCC2CCCCN2)C2CC2)cs1
InChIInChI=1S/C16H26N2S/c1-2-9-17-15(4-1)5-3-10-18(16-6-7-16)12-14-8-11-19-13-14/h8,11,13,15-17H,1-7,9-10,12H2
InChIKeyRVLDPAZMEPICOU-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 66469414

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 62212509) is N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine is c1cc(CN(CCCC2CCCCN2)C2CC2)cs1.
What is the InChIKey of N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is RVLDPAZMEPICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-9-17-15(4-1)5-3-10-18(16-6-7-16)12-14-8-11-19-13-14/h8,11,13,15-17H,1-7,9-10,12H2.
What are the key properties of N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62212509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).