1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine

C14H28N2 — CID 20501063

IUPAC1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine
SMILESCCN1C(C)(C)CC(N)CC12CCCCC2
InChIInChI=1S/C14H28N2/c1-4-16-13(2,3)10-12(15)11-14(16)8-6-5-7-9-14/h12H,4-11,15H2,1-3H3
InChIKeyZYHXPNIQKCCEQC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.91
Rot. Bonds1

About 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine

1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine (PubChem CID 20501063) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine
PubChem CID20501063
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine
SMILESCCN1C(C)(C)CC(N)CC12CCCCC2
InChIInChI=1S/C14H28N2/c1-4-16-13(2,3)10-12(15)11-14(16)8-6-5-7-9-14/h12H,4-11,15H2,1-3H3
InChIKeyZYHXPNIQKCCEQC-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine?
The IUPAC name of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine (CID 20501063) is 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine is CCN1C(C)(C)CC(N)CC12CCCCC2.
What is the InChIKey of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine?
The InChIKey is ZYHXPNIQKCCEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16-13(2,3)10-12(15)11-14(16)8-6-5-7-9-14/h12H,4-11,15H2,1-3H3.
What are the key properties of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine?
1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 20501063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).