6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine

C18H36N2 — CID 79848332

IUPAC6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN2CCC(C)CC2C)CCCC1(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-16(8-7-10-18(17,4)5)13-20-11-9-14(2)12-15(20)3/h14-17,19H,6-13H2,1-5H3
InChIKeyHETKWRCKFYUIDD-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79848332) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79848332
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN2CCC(C)CC2C)CCCC1(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-16(8-7-10-18(17,4)5)13-20-11-9-14(2)12-15(20)3/h14-17,19H,6-13H2,1-5H3
InChIKeyHETKWRCKFYUIDD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79848332) is 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(CN2CCC(C)CC2C)CCCC1(C)C.
What is the InChIKey of 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HETKWRCKFYUIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-19-17-16(8-7-10-18(17,4)5)13-20-11-9-14(2)12-15(20)3/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79848332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).