3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

C15H30N2 — CID 63161660

IUPAC3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCC1(C)CCN(CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-15(2)7-9-17(10-8-15)12-13-5-4-6-14(16)11-13/h13-14H,3-12,16H2,1-2H3
InChIKeyIMLQMXRBUFLCLK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds3

About 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63161660) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63161660
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCC1(C)CCN(CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-15(2)7-9-17(10-8-15)12-13-5-4-6-14(16)11-13/h13-14H,3-12,16H2,1-2H3
InChIKeyIMLQMXRBUFLCLK-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 63161660) is 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is CCC1(C)CCN(CC2CCCC(N)C2)CC1.
What is the InChIKey of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is IMLQMXRBUFLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-15(2)7-9-17(10-8-15)12-13-5-4-6-14(16)11-13/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63161660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).