N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

C13H24N2O — CID 178011573

IUPACN-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCCNC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C13H24N2O/c1-2-14-11-3-5-12(6-4-11)15-7-13(8-15)9-16-10-13/h11-12,14H,2-10H2,1H3
InChIKeyAQTMDYQAHMMQHM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds3

About N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (PubChem CID 178011573) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
PubChem CID178011573
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCCNC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C13H24N2O/c1-2-14-11-3-5-12(6-4-11)15-7-13(8-15)9-16-10-13/h11-12,14H,2-10H2,1H3
InChIKeyAQTMDYQAHMMQHM-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (CID 178011573) is N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is CCNC1CCC(N2CC3(COC3)C2)CC1.
What is the InChIKey of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The InChIKey is AQTMDYQAHMMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-14-11-3-5-12(6-4-11)15-7-13(8-15)9-16-10-13/h11-12,14H,2-10H2,1H3.
What are the key properties of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 178011573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).