2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine

C12H23NO3 — CID 79912770

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-11(13,8-14-2)10-3-5-16-12(7-10)4-6-15-9-12/h10H,3-9,13H2,1-2H3
InChIKeyGZIJKDBSKMVKSY-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.94
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine

2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine (PubChem CID 79912770) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
PubChem CID79912770
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-11(13,8-14-2)10-3-5-16-12(7-10)4-6-15-9-12/h10H,3-9,13H2,1-2H3
InChIKeyGZIJKDBSKMVKSY-UHFFFAOYSA-N
XLogP0.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
2-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 79908770
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
CID 114865417
5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol
CID 103391340
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
CID 79899168
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine (CID 79912770) is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine is COCC(C)(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine?
The InChIKey is GZIJKDBSKMVKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(13,8-14-2)10-3-5-16-12(7-10)4-6-15-9-12/h10H,3-9,13H2,1-2H3.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine?
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine is sourced from PubChem (CID 79912770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).