1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine

C13H25NS — CID 105167964

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
SMILESCNC(CCSC)CC1CC2CCC1C2
InChIInChI=1S/C13H25NS/c1-14-13(5-6-15-2)9-12-8-10-3-4-11(12)7-10/h10-14H,3-9H2,1-2H3
InChIKeyXQVZSFJBJDKNIT-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine (PubChem CID 105167964) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
PubChem CID105167964
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
SMILESCNC(CCSC)CC1CC2CCC1C2
InChIInChI=1S/C13H25NS/c1-14-13(5-6-15-2)9-12-8-10-3-4-11(12)7-10/h10-14H,3-9H2,1-2H3
InChIKeyXQVZSFJBJDKNIT-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
[1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-yl]hydrazine
CID 105207728
1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019618
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115886386

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine (CID 105167964) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine is CNC(CCSC)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine?
The InChIKey is XQVZSFJBJDKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-14-13(5-6-15-2)9-12-8-10-3-4-11(12)7-10/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine has a molecular weight of 227.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105167964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).