N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H21NS — CID 43110218

IUPACN-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(NC1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C17H21NS/c1-2-15(17-11-6-12-19-17)18-16-10-5-8-13-7-3-4-9-14(13)16/h3-4,6-7,9,11-12,15-16,18H,2,5,8,10H2,1H3
InChIKeyZNRQGFRYXYTSMD-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.87
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43110218) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43110218
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(NC1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C17H21NS/c1-2-15(17-11-6-12-19-17)18-16-10-5-8-13-7-3-4-9-14(13)16/h3-4,6-7,9,11-12,15-16,18H,2,5,8,10H2,1H3
InChIKeyZNRQGFRYXYTSMD-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63453924
6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367328
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile
CID 43652102
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43787540
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43110218) is N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(NC1CCCc2ccccc21)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZNRQGFRYXYTSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-15(17-11-6-12-19-17)18-16-10-5-8-13-7-3-4-9-14(13)16/h3-4,6-7,9,11-12,15-16,18H,2,5,8,10H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43110218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).