N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine

C18H21NS — CID 43287136

IUPACN-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(c(-c3ccc(CNC4CC4)s3)c1)CCCC2
InChIInChI=1S/C18H21NS/c1-2-6-16-13(4-1)5-3-7-17(16)18-11-10-15(20-18)12-19-14-8-9-14/h3,5,7,10-11,14,19H,1-2,4,6,8-9,12H2
InChIKeyMRNFSQPSUMRBOV-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.55
Rot. Bonds4

About N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 43287136) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID43287136
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(c(-c3ccc(CNC4CC4)s3)c1)CCCC2
InChIInChI=1S/C18H21NS/c1-2-6-16-13(4-1)5-3-7-17(16)18-11-10-15(20-18)12-19-14-8-9-14/h3,5,7,10-11,14,19H,1-2,4,6,8-9,12H2
InChIKeyMRNFSQPSUMRBOV-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine (CID 43287136) is N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine is c1cc2c(c(-c3ccc(CNC4CC4)s3)c1)CCCC2.
What is the InChIKey of N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is MRNFSQPSUMRBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-6-16-13(4-1)5-3-7-17(16)18-11-10-15(20-18)12-19-14-8-9-14/h3,5,7,10-11,14,19H,1-2,4,6,8-9,12H2.
What are the key properties of N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43287136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).