1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine

C12H25N3O — CID 83959948

IUPAC1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine
SMILESCC(N)CN1CC(C)C2(COC2)C(CN)C1
InChIInChI=1S/C12H25N3O/c1-9-4-15(5-10(2)14)6-11(3-13)12(9)7-16-8-12/h9-11H,3-8,13-14H2,1-2H3
InChIKeyGUCCJFFSHQWLGT-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.12
Rot. Bonds3

About 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine

1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine (PubChem CID 83959948) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine.

Molecular Properties

Compound Name1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine
PubChem CID83959948
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine
SMILESCC(N)CN1CC(C)C2(COC2)C(CN)C1
InChIInChI=1S/C12H25N3O/c1-9-4-15(5-10(2)14)6-11(3-13)12(9)7-16-8-12/h9-11H,3-8,13-14H2,1-2H3
InChIKeyGUCCJFFSHQWLGT-UHFFFAOYSA-N
XLogP-0.12
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine?
The IUPAC name of 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine (CID 83959948) is 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine.
What is the SMILES notation for 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine?
The canonical SMILES for 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine is CC(N)CN1CC(C)C2(COC2)C(CN)C1.
What is the InChIKey of 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine?
The InChIKey is GUCCJFFSHQWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-4-15(5-10(2)14)6-11(3-13)12(9)7-16-8-12/h9-11H,3-8,13-14H2,1-2H3.
What are the key properties of 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine?
1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine has a molecular weight of 227.35 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(aminomethyl)-5-methyl-2-oxa-7-azaspiro[3.5]nonan-7-yl]propan-2-amine is sourced from PubChem (CID 83959948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).