N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine

C15H29NO3 — CID 64865425

IUPACN-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)C(OC)OC)C12CCCC2
InChIInChI=1S/C15H29NO3/c1-5-19-13-10-12(15(13)8-6-7-9-15)16-11(2)14(17-3)18-4/h11-14,16H,5-10H2,1-4H3
InChIKeyXEVLWLRORHGHOR-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.32
Rot. Bonds7

About N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine

N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64865425) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64865425
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)C(OC)OC)C12CCCC2
InChIInChI=1S/C15H29NO3/c1-5-19-13-10-12(15(13)8-6-7-9-15)16-11(2)14(17-3)18-4/h11-14,16H,5-10H2,1-4H3
InChIKeyXEVLWLRORHGHOR-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
CID 103271742

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine (CID 64865425) is N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NC(C)C(OC)OC)C12CCCC2.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is XEVLWLRORHGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-19-13-10-12(15(13)8-6-7-9-15)16-11(2)14(17-3)18-4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64865425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).