1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine

C15H29NS — CID 79562229

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
SMILESCCC(C)SCC(CC1CC2CCC1C2)NC
InChIInChI=1S/C15H29NS/c1-4-11(2)17-10-15(16-3)9-14-8-12-5-6-13(14)7-12/h11-16H,4-10H2,1-3H3
InChIKeyOJEMZPPDAPAVCU-UHFFFAOYSA-N
MW255.47 g/mol
LogP3.93
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine (PubChem CID 79562229) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
PubChem CID79562229
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
SMILESCCC(C)SCC(CC1CC2CCC1C2)NC
InChIInChI=1S/C15H29NS/c1-4-11(2)17-10-15(16-3)9-14-8-12-5-6-13(14)7-12/h11-16H,4-10H2,1-3H3
InChIKeyOJEMZPPDAPAVCU-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
CID 79562079
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-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine
CID 65458615
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462
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)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019618
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
[1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-yl]hydrazine
CID 105207728

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine (CID 79562229) is 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine is CCC(C)SCC(CC1CC2CCC1C2)NC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine?
The InChIKey is OJEMZPPDAPAVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-4-11(2)17-10-15(16-3)9-14-8-12-5-6-13(14)7-12/h11-16H,4-10H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine has a molecular weight of 255.47 g/mol, XLogP of 3.93, 7 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)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 79562229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).