4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine

C20H33NS — CID 143423057

IUPAC4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine
SMILESC=C(SC1CCC=C2C=CC(C)C(C)C21NC)C(C)(C)CC
InChIInChI=1S/C20H33NS/c1-8-19(5,6)16(4)22-18-11-9-10-17-13-12-14(2)15(3)20(17,18)21-7/h10,12-15,18,21H,4,8-9,11H2,1-3,5-7H3
InChIKeyMENAEPXGZUNBPL-UHFFFAOYSA-N
MW319.56 g/mol
LogP5.56
Rot. Bonds5

About 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine

4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine (PubChem CID 143423057) has the molecular formula C20H33NS and a molecular weight of 319.56 g/mol. Its IUPAC name is 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine.

Molecular Properties

Compound Name4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine
PubChem CID143423057
Molecular FormulaC20H33NS
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Name4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine
SMILESC=C(SC1CCC=C2C=CC(C)C(C)C21NC)C(C)(C)CC
InChIInChI=1S/C20H33NS/c1-8-19(5,6)16(4)22-18-11-9-10-17-13-12-14(2)15(3)20(17,18)21-7/h10,12-15,18,21H,4,8-9,11H2,1-3,5-7H3
InChIKeyMENAEPXGZUNBPL-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.56
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine with MolForge

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Related Compounds

5-butan-2-ylcyclohexa-1,3-diene;1-[(4-ethylcyclohexa-1,5-dien-1-yl)methylsulfanyl]-N-propylheptan-3-amine
CID 144115092
3-[[ethyl(dimethyl)-lambda4-sulfanyl]methyl]-N-[(2E)-2-ethylpenta-2,4-dienyl]-7-methyl-5-methylideneoct-7-en-1-amine
CID 146516801
3-Cyclohexa-2,4-dien-1-yl-6-methyl-2-(2,3,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine
CID 156315946
5-methyl-3-(1-methylcyclohexa-2,4-dien-1-yl)-N-(3-propylsulfanylpropyl)hex-1-en-2-amine
CID 142041275

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine?
The IUPAC name of 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine (CID 143423057) is 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine.
What is the SMILES notation for 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine?
The canonical SMILES for 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine is C=C(SC1CCC=C2C=CC(C)C(C)C21NC)C(C)(C)CC.
What is the InChIKey of 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine?
The InChIKey is MENAEPXGZUNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NS/c1-8-19(5,6)16(4)22-18-11-9-10-17-13-12-14(2)15(3)20(17,18)21-7/h10,12-15,18,21H,4,8-9,11H2,1-3,5-7H3.
What are the key properties of 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine?
4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine has a molecular weight of 319.56 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpent-1-en-2-ylsulfanyl)-N,5,6-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-amine is sourced from PubChem (CID 143423057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).