3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C16H31NO2 — CID 103028605

IUPAC3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-15(2,18-3)12-14(17)13-7-10-19-16(11-13)8-5-4-6-9-16/h13-14H,4-12,17H2,1-3H3
InChIKeyBOXJDGAEKLNSJS-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.26
Rot. Bonds4

About 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 103028605) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID103028605
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-15(2,18-3)12-14(17)13-7-10-19-16(11-13)8-5-4-6-9-16/h13-14H,4-12,17H2,1-3H3
InChIKeyBOXJDGAEKLNSJS-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 103028605) is 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is COC(C)(C)CC(N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is BOXJDGAEKLNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,18-3)12-14(17)13-7-10-19-16(11-13)8-5-4-6-9-16/h13-14H,4-12,17H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 103028605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).