N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine

C16H19NS — CID 113329807

IUPACN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
SMILESCC1(C)CCc2ccccc2C1Nc1ccsc1
InChIInChI=1S/C16H19NS/c1-16(2)9-7-12-5-3-4-6-14(12)15(16)17-13-8-10-18-11-13/h3-6,8,10-11,15,17H,7,9H2,1-2H3
InChIKeyUZNGZCXDQFVROD-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.87
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine (PubChem CID 113329807) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
PubChem CID113329807
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
SMILESCC1(C)CCc2ccccc2C1Nc1ccsc1
InChIInChI=1S/C16H19NS/c1-16(2)9-7-12-5-3-4-6-14(12)15(16)17-13-8-10-18-11-13/h3-6,8,10-11,15,17H,7,9H2,1-2H3
InChIKeyUZNGZCXDQFVROD-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531800
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 115531786
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-5-methylpyridin-3-amine
CID 107584671
N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine
CID 66350154
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
CID 83010508
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
CID 115531969
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531857
N-(2-chloro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531891
N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531888
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine (CID 113329807) is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine is CC1(C)CCc2ccccc2C1Nc1ccsc1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine?
The InChIKey is UZNGZCXDQFVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-16(2)9-7-12-5-3-4-6-14(12)15(16)17-13-8-10-18-11-13/h3-6,8,10-11,15,17H,7,9H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine?
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine has a molecular weight of 257.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine is sourced from PubChem (CID 113329807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).