1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine

C14H27NS — CID 79562079

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
SMILESCCC(C)SCC(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27NS/c1-3-10(2)16-9-14(15)8-13-7-11-4-5-12(13)6-11/h10-14H,3-9,15H2,1-2H3
InChIKeyMPROLTKMXXFEQL-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine (PubChem CID 79562079) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
PubChem CID79562079
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
SMILESCCC(C)SCC(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27NS/c1-3-10(2)16-9-14(15)8-13-7-11-4-5-12(13)6-11/h10-14H,3-9,15H2,1-2H3
InChIKeyMPROLTKMXXFEQL-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
CID 104987755
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-amine
CID 105037583
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine (CID 79562079) is 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine is CCC(C)SCC(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine?
The InChIKey is MPROLTKMXXFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-10(2)16-9-14(15)8-13-7-11-4-5-12(13)6-11/h10-14H,3-9,15H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine has a molecular weight of 241.44 g/mol, XLogP of 3.67, 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)-3-butan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 79562079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).