2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine

C26H47N3O — CID 167233887

IUPAC2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine
SMILESCCC1(NCCCCC2CC3(COCC(C)N3)C2)CC1CC1CCNC2(CCC2)C1
InChIInChI=1S/C26H47N3O/c1-3-26(17-23(26)13-21-8-12-27-24(14-21)9-6-10-24)28-11-5-4-7-22-15-25(16-22)19-30-18-20(2)29-25/h20-23,27-29H,3-19H2,1-2H3
InChIKeyVDAMPBJBGGXKQD-UHFFFAOYSA-N
MW417.68 g/mol
LogP4.38
Rot. Bonds9

About 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine

2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine (PubChem CID 167233887) has the molecular formula C26H47N3O and a molecular weight of 417.68 g/mol. Its IUPAC name is 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine
PubChem CID167233887
Molecular FormulaC26H47N3O
Molecular Weight417.68 g/mol
Exact Mass417.37
IUPAC Name2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine
SMILESCCC1(NCCCCC2CC3(COCC(C)N3)C2)CC1CC1CCNC2(CCC2)C1
InChIInChI=1S/C26H47N3O/c1-3-26(17-23(26)13-21-8-12-27-24(14-21)9-6-10-24)28-11-5-4-7-22-15-25(16-22)19-30-18-20(2)29-25/h20-23,27-29H,3-19H2,1-2H3
InChIKeyVDAMPBJBGGXKQD-UHFFFAOYSA-N
XLogP4.38
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.68
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine?
The IUPAC name of 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine (CID 167233887) is 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine.
What is the SMILES notation for 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine?
The canonical SMILES for 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine is CCC1(NCCCCC2CC3(COCC(C)N3)C2)CC1CC1CCNC2(CCC2)C1.
What is the InChIKey of 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine?
The InChIKey is VDAMPBJBGGXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O/c1-3-26(17-23(26)13-21-8-12-27-24(14-21)9-6-10-24)28-11-5-4-7-22-15-25(16-22)19-30-18-20(2)29-25/h20-23,27-29H,3-19H2,1-2H3.
What are the key properties of 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine?
2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine has a molecular weight of 417.68 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine is sourced from PubChem (CID 167233887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).