N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine

C18H28N2S — CID 66469414

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESc1cc(CN(CC2CCC3CCCCC3N2)C2CC2)cs1
InChIInChI=1S/C18H28N2S/c1-2-4-18-15(3-1)5-6-16(19-18)12-20(17-7-8-17)11-14-9-10-21-13-14/h9-10,13,15-19H,1-8,11-12H2
InChIKeyXHSFAFGNRXRJGA-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.02
Rot. Bonds5

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 66469414) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID66469414
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESc1cc(CN(CC2CCC3CCCCC3N2)C2CC2)cs1
InChIInChI=1S/C18H28N2S/c1-2-4-18-15(3-1)5-6-16(19-18)12-20(17-7-8-17)11-14-9-10-21-13-14/h9-10,13,15-19H,1-8,11-12H2
InChIKeyXHSFAFGNRXRJGA-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine with MolForge

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Related Compounds

5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol
CID 66055367
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62212509
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine
CID 66469407
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849446
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
CID 66471626
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848238
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 66469414) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine is c1cc(CN(CC2CCC3CCCCC3N2)C2CC2)cs1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is XHSFAFGNRXRJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-4-18-15(3-1)5-6-16(19-18)12-20(17-7-8-17)11-14-9-10-21-13-14/h9-10,13,15-19H,1-8,11-12H2.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 304.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 66469414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).