4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C16H31NO2 — CID 105170251

IUPAC4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CC(C)COC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-13(12-18-3)10-15(17-2)14-6-9-19-16(11-14)7-4-5-8-16/h13-15,17H,4-12H2,1-3H3
InChIKeyIFVSFERGSKQCAU-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds6

About 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 105170251) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID105170251
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CC(C)COC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-13(12-18-3)10-15(17-2)14-6-9-19-16(11-14)7-4-5-8-16/h13-15,17H,4-12H2,1-3H3
InChIKeyIFVSFERGSKQCAU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N-methylbutan-1-amine
CID 113391381
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 105170251) is 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is CNC(CC(C)COC)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is IFVSFERGSKQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(12-18-3)10-15(17-2)14-6-9-19-16(11-14)7-4-5-8-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 105170251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).