[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine

C15H30N2 — CID 79527069

IUPAC[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1CC(C)CN(CC2CCC(CN)CC2)C1
InChIInChI=1S/C15H30N2/c1-12-7-13(2)10-17(9-12)11-15-5-3-14(8-16)4-6-15/h12-15H,3-11,16H2,1-2H3
InChIKeyCMKDRCLWUYRDNP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.73
Rot. Bonds3

About [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine

[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 79527069) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID79527069
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1CC(C)CN(CC2CCC(CN)CC2)C1
InChIInChI=1S/C15H30N2/c1-12-7-13(2)10-17(9-12)11-15-5-3-14(8-16)4-6-15/h12-15H,3-11,16H2,1-2H3
InChIKeyCMKDRCLWUYRDNP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine (CID 79527069) is [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine is CC1CC(C)CN(CC2CCC(CN)CC2)C1.
What is the InChIKey of [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is CMKDRCLWUYRDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-7-13(2)10-17(9-12)11-15-5-3-14(8-16)4-6-15/h12-15H,3-11,16H2,1-2H3.
What are the key properties of [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79527069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).