2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NS — CID 115420476

IUPAC2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2C(C)CC1SC(C)CC
InChIInChI=1S/C18H29NS/c1-5-11-19-18-16-10-8-7-9-15(16)13(3)12-17(18)20-14(4)6-2/h7-10,13-14,17-19H,5-6,11-12H2,1-4H3
InChIKeyWHODYUPHUKTASG-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.13
Rot. Bonds6

About 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420476) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420476
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2C(C)CC1SC(C)CC
InChIInChI=1S/C18H29NS/c1-5-11-19-18-16-10-8-7-9-15(16)13(3)12-17(18)20-14(4)6-2/h7-10,13-14,17-19H,5-6,11-12H2,1-4H3
InChIKeyWHODYUPHUKTASG-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420570
2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420608
3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420616
2-(1-methoxypropan-2-yloxy)-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419271
N-ethyl-4-methyl-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420483
4-methyl-2-(2-methylpyrrolidin-1-yl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418920
2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420303
N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107764182
N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
CID 54476051
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
2-methyl-N,3-dipropyl-2,3-dihydro-1H-inden-1-amine
CID 79726205
N-ethyl-4-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420563

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420476) is 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1c2ccccc2C(C)CC1SC(C)CC.
What is the InChIKey of 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WHODYUPHUKTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-5-11-19-18-16-10-8-7-9-15(16)13(3)12-17(18)20-14(4)6-2/h7-10,13-14,17-19H,5-6,11-12H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.50 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).