(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C17H31NO3 — CID 116764461

IUPAC(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCCCC3)C2)CCOCC1
InChIInChI=1S/C17H31NO3/c1-19-17(8-11-20-12-9-17)15(18)14-5-10-21-16(13-14)6-3-2-4-7-16/h14-15H,2-13,18H2,1H3
InChIKeyMCOIVYABYKAVDU-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.64
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 116764461) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID116764461
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCCCC3)C2)CCOCC1
InChIInChI=1S/C17H31NO3/c1-19-17(8-11-20-12-9-17)15(18)14-5-10-21-16(13-14)6-3-2-4-7-16/h14-15H,2-13,18H2,1H3
InChIKeyMCOIVYABYKAVDU-UHFFFAOYSA-N
XLogP2.64
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine 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

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 116764461) is (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is COC1(C(N)C2CCOC3(CCCCC3)C2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is MCOIVYABYKAVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-19-17(8-11-20-12-9-17)15(18)14-5-10-21-16(13-14)6-3-2-4-7-16/h14-15H,2-13,18H2,1H3.
What are the key properties of (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 297.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 116764461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).