[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine

C15H30N2S — CID 114236814

IUPAC[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCSC1CCN(C2(CN)CC(C)CCC2C)CC1
InChIInChI=1S/C15H30N2S/c1-12-4-5-13(2)15(10-12,11-16)17-8-6-14(18-3)7-9-17/h12-14H,4-11,16H2,1-3H3
InChIKeyBWTTZGHXHJQDQD-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds3

About [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine

[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 114236814) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID114236814
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCSC1CCN(C2(CN)CC(C)CCC2C)CC1
InChIInChI=1S/C15H30N2S/c1-12-4-5-13(2)15(10-12,11-16)17-8-6-14(18-3)7-9-17/h12-14H,4-11,16H2,1-3H3
InChIKeyBWTTZGHXHJQDQD-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine (CID 114236814) is [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine is CSC1CCN(C2(CN)CC(C)CCC2C)CC1.
What is the InChIKey of [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is BWTTZGHXHJQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-12-4-5-13(2)15(10-12,11-16)17-8-6-14(18-3)7-9-17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine?
[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114236814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).