[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine

C17H34N2 — CID 103351790

IUPAC[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCCCC2C(C)C)C(CN)C1
InChIInChI=1S/C17H34N2/c1-4-14-9-10-19(15(11-14)12-18)17-8-6-5-7-16(17)13(2)3/h13-17H,4-12,18H2,1-3H3
InChIKeyXUSBRAURABIHLA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds4

About [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine

[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine (PubChem CID 103351790) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine
PubChem CID103351790
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCCCC2C(C)C)C(CN)C1
InChIInChI=1S/C17H34N2/c1-4-14-9-10-19(15(11-14)12-18)17-8-6-5-7-16(17)13(2)3/h13-17H,4-12,18H2,1-3H3
InChIKeyXUSBRAURABIHLA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine (CID 103351790) is [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine is CCC1CCN(C2CCCCC2C(C)C)C(CN)C1.
What is the InChIKey of [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine?
The InChIKey is XUSBRAURABIHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-14-9-10-19(15(11-14)12-18)17-8-6-5-7-16(17)13(2)3/h13-17H,4-12,18H2,1-3H3.
What are the key properties of [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine?
[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103351790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).