[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine

C18H34N2O — CID 103353008

IUPAC[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCOC3(CCCCC3)C2)C(CN)C1
InChIInChI=1S/C18H34N2O/c1-2-15-6-10-20(17(12-15)14-19)16-7-11-21-18(13-16)8-4-3-5-9-18/h15-17H,2-14,19H2,1H3
InChIKeyRGVNEDLKFDWMAI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.32
Rot. Bonds3

About [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine

[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine (PubChem CID 103353008) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
PubChem CID103353008
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCOC3(CCCCC3)C2)C(CN)C1
InChIInChI=1S/C18H34N2O/c1-2-15-6-10-20(17(12-15)14-19)16-7-11-21-18(13-16)8-4-3-5-9-18/h15-17H,2-14,19H2,1H3
InChIKeyRGVNEDLKFDWMAI-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine with MolForge

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Related Compounds

(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 115963785
(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine
CID 103353017
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
[6-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
CID 79902968
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338570
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 115313242
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine (CID 103353008) is [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine is CCC1CCN(C2CCOC3(CCCCC3)C2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine?
The InChIKey is RGVNEDLKFDWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-15-6-10-20(17(12-15)14-19)16-7-11-21-18(13-16)8-4-3-5-9-18/h15-17H,2-14,19H2,1H3.
What are the key properties of [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine?
[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine has a molecular weight of 294.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103353008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).