3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

C15H30N2 — CID 64736017

IUPAC3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCCC(C)C2)C(N)C1
InChIInChI=1S/C15H30N2/c1-11-5-4-6-17(9-11)10-14-13(3)7-12(2)8-15(14)16/h11-15H,4-10,16H2,1-3H3
InChIKeyXDBOVHHPPLYDTE-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.73
Rot. Bonds2

About 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 64736017) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID64736017
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCCC(C)C2)C(N)C1
InChIInChI=1S/C15H30N2/c1-11-5-4-6-17(9-11)10-14-13(3)7-12(2)8-15(14)16/h11-15H,4-10,16H2,1-3H3
InChIKeyXDBOVHHPPLYDTE-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 64736017) is 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCCC(C)C2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is XDBOVHHPPLYDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11-5-4-6-17(9-11)10-14-13(3)7-12(2)8-15(14)16/h11-15H,4-10,16H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64736017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).