4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine

C19H29NS — CID 79954836

IUPAC4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine
SMILESCC(NC1CSCCC1(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29NS/c1-14(20-18-13-21-11-10-19(18,2)3)16-9-8-15-6-4-5-7-17(15)12-16/h8-9,12,14,18,20H,4-7,10-11,13H2,1-3H3
InChIKeyOQHWKNYDQULNEZ-UHFFFAOYSA-N
MW303.52 g/mol
LogP4.75
Rot. Bonds3

About 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine

4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine (PubChem CID 79954836) has the molecular formula C19H29NS and a molecular weight of 303.52 g/mol. Its IUPAC name is 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine
PubChem CID79954836
Molecular FormulaC19H29NS
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine
SMILESCC(NC1CSCCC1(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29NS/c1-14(20-18-13-21-11-10-19(18,2)3)16-9-8-15-6-4-5-7-17(15)12-16/h8-9,12,14,18,20H,4-7,10-11,13H2,1-3H3
InChIKeyOQHWKNYDQULNEZ-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
CID 43224338
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
4-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexan-1-amine
CID 43079394
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N-[(1S)-1-cyclohexylethyl]-4,4-dimethylthian-3-amine
CID 81387257
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
N-[1-(2,6-difluorophenyl)propan-2-yl]-4,4-dimethylthian-3-amine
CID 79948608
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64739909

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine?
The IUPAC name of 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine (CID 79954836) is 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine?
The canonical SMILES for 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine is CC(NC1CSCCC1(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine?
The InChIKey is OQHWKNYDQULNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-14(20-18-13-21-11-10-19(18,2)3)16-9-8-15-6-4-5-7-17(15)12-16/h8-9,12,14,18,20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine?
4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine has a molecular weight of 303.52 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 79954836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).