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

C14H26N2O — CID 178011531

IUPAC4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)15-12-3-5-13(6-4-12)16-7-14(8-16)9-17-10-14/h11-13,15H,3-10H2,1-2H3
InChIKeyKLFRYQAPCVAIAR-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

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

4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 178011531) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID178011531
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)15-12-3-5-13(6-4-12)16-7-14(8-16)9-17-10-14/h11-13,15H,3-10H2,1-2H3
InChIKeyKLFRYQAPCVAIAR-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine (CID 178011531) is 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCC(N2CC3(COC3)C2)CC1.
What is the InChIKey of 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is KLFRYQAPCVAIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)15-12-3-5-13(6-4-12)16-7-14(8-16)9-17-10-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 178011531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).