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

C13H26N2O — CID 178011572

IUPACN-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen
SMILESCCNC1CCC(N2CC3(COC3)C2)CC1.[H][H]
InChIInChI=1S/C13H24N2O.H2/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;1H
InChIKeyIQDSJMQOVHVNFW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds3

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

N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen (PubChem CID 178011572) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen
PubChem CID178011572
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen
SMILESCCNC1CCC(N2CC3(COC3)C2)CC1.[H][H]
InChIInChI=1S/C13H24N2O.H2/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;1H
InChIKeyIQDSJMQOVHVNFW-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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;molecular hydrogen?
The IUPAC name of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen (CID 178011572) is N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen.
What is the SMILES notation for N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen?
The canonical SMILES for N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen is CCNC1CCC(N2CC3(COC3)C2)CC1.[H][H].
What is the InChIKey of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen?
The InChIKey is IQDSJMQOVHVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.H2/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;1H.
What are the key properties of N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen?
N-ethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen has a molecular weight of 226.36 g/mol, XLogP of 1.49, 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;molecular hydrogen is sourced from PubChem (CID 178011572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).