3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine

C15H28N2S — CID 55232625

IUPAC3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
SMILESCN(CC1CC2CCC1C2)C1(CN)CCCSC1
InChIInChI=1S/C15H28N2S/c1-17(15(10-16)5-2-6-18-11-15)9-14-8-12-3-4-13(14)7-12/h12-14H,2-11,16H2,1H3
InChIKeyBIEFXOWVRSNDDB-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.58
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine

3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine (PubChem CID 55232625) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
PubChem CID55232625
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
SMILESCN(CC1CC2CCC1C2)C1(CN)CCCSC1
InChIInChI=1S/C15H28N2S/c1-17(15(10-16)5-2-6-18-11-15)9-14-8-12-3-4-13(14)7-12/h12-14H,2-11,16H2,1H3
InChIKeyBIEFXOWVRSNDDB-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 63682928
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine
CID 79952322
3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
CID 62873285
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthian-3-amine
CID 62872376
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912262
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
CID 107397873
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
CID 55175382
3-(aminomethyl)-N-benzyl-N-methylthian-3-amine
CID 62871840
1-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]cycloheptan-1-amine
CID 63879073
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine (CID 55232625) is 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine is CN(CC1CC2CCC1C2)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine?
The InChIKey is BIEFXOWVRSNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-17(15(10-16)5-2-6-18-11-15)9-14-8-12-3-4-13(14)7-12/h12-14H,2-11,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine?
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine has a molecular weight of 268.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine is sourced from PubChem (CID 55232625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).