2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine

C14H25NS2 — CID 79965768

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1CSCCS1
InChIInChI=1S/C14H25NS2/c1-15-13(14-9-16-4-5-17-14)8-12-7-10-2-3-11(12)6-10/h10-15H,2-9H2,1H3
InChIKeyGACRKXCMHALDBN-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine (PubChem CID 79965768) has the molecular formula C14H25NS2 and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
PubChem CID79965768
Molecular FormulaC14H25NS2
Molecular Weight271.49 g/mol
Exact Mass271.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1CSCCS1
InChIInChI=1S/C14H25NS2/c1-15-13(14-9-16-4-5-17-14)8-12-7-10-2-3-11(12)6-10/h10-15H,2-9H2,1H3
InChIKeyGACRKXCMHALDBN-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine with MolForge

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255972
1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259751
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168005
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79965964
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974246
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 105017677
1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
CID 79965382
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
1-(1,4-dithian-2-yl)-N,3-dimethylhexan-1-amine
CID 79966638

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine (CID 79965768) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)C1CSCCS1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
The InChIKey is GACRKXCMHALDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS2/c1-15-13(14-9-16-4-5-17-14)8-12-7-10-2-3-11(12)6-10/h10-15H,2-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine has a molecular weight of 271.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine is sourced from PubChem (CID 79965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).