[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine

C17H34N2 — CID 114592315

IUPAC[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C17H34N2/c1-5-15-6-7-16(10-18)17(9-15)19-11-12(2)8-13(3)14(19)4/h12-17H,5-11,18H2,1-4H3
InChIKeyXBEJCQNBYNFXHM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.51
Rot. Bonds3

About [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine

[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 114592315) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID114592315
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C17H34N2/c1-5-15-6-7-16(10-18)17(9-15)19-11-12(2)8-13(3)14(19)4/h12-17H,5-11,18H2,1-4H3
InChIKeyXBEJCQNBYNFXHM-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine (CID 114592315) is [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine is CCC1CCC(CN)C(N2CC(C)CC(C)C2C)C1.
What is the InChIKey of [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is XBEJCQNBYNFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-15-6-7-16(10-18)17(9-15)19-11-12(2)8-13(3)14(19)4/h12-17H,5-11,18H2,1-4H3.
What are the key properties of [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114592315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).