(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine

C14H26N2 — CID 166881310

IUPAC(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine
SMILESC/C=C1\CC(C)[C@@H](N)C12CCN(CC)CC2
InChIInChI=1S/C14H26N2/c1-4-12-10-11(3)13(15)14(12)6-8-16(5-2)9-7-14/h4,11,13H,5-10,15H2,1-3H3/b12-4+/t11?,13-/m1/s1
InChIKeyZDZSIHHRUQOZBO-PNUYTRHWSA-N
MW222.38 g/mol
LogP2.40
Rot. Bonds1

About (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine

(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine (PubChem CID 166881310) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine.

Molecular Properties

Compound Name(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine
PubChem CID166881310
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine
SMILESC/C=C1\CC(C)[C@@H](N)C12CCN(CC)CC2
InChIInChI=1S/C14H26N2/c1-4-12-10-11(3)13(15)14(12)6-8-16(5-2)9-7-14/h4,11,13H,5-10,15H2,1-3H3/b12-4+/t11?,13-/m1/s1
InChIKeyZDZSIHHRUQOZBO-PNUYTRHWSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine?
The IUPAC name of (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine (CID 166881310) is (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine.
What is the SMILES notation for (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine?
The canonical SMILES for (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine is C/C=C1\CC(C)[C@@H](N)C12CCN(CC)CC2.
What is the InChIKey of (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine?
The InChIKey is ZDZSIHHRUQOZBO-PNUYTRHWSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-12-10-11(3)13(15)14(12)6-8-16(5-2)9-7-14/h4,11,13H,5-10,15H2,1-3H3/b12-4+/t11?,13-/m1/s1.
What are the key properties of (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine?
(1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E)-8-ethyl-4-ethylidene-2-methyl-8-azaspiro[4.5]decan-1-amine is sourced from PubChem (CID 166881310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).