2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine

C12H24N2S — CID 112658145

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCSCCN(C)C1(CN)CC2CCC1C2
InChIInChI=1S/C12H24N2S/c1-14(5-6-15-2)12(9-13)8-10-3-4-11(12)7-10/h10-11H,3-9,13H2,1-2H3
InChIKeyIJCGRWLWIMZAHB-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.80
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine

2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 112658145) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID112658145
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCSCCN(C)C1(CN)CC2CCC1C2
InChIInChI=1S/C12H24N2S/c1-14(5-6-15-2)12(9-13)8-10-3-4-11(12)7-10/h10-11H,3-9,13H2,1-2H3
InChIKeyIJCGRWLWIMZAHB-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658132
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658082
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
CID 165495975
(2S)-2-(aminomethyl)bicyclo[2.2.1]heptan-2-amine;platinum(2+);dichloride
CID 11742035
[2-(trimethylsilylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106323351
4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine
CID 112658337
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 105430374
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664797
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine (CID 112658145) is 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine is CSCCN(C)C1(CN)CC2CCC1C2.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is IJCGRWLWIMZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(5-6-15-2)12(9-13)8-10-3-4-11(12)7-10/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine?
2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 228.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 112658145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).