2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine

C11H23NO2 — CID 79627779

IUPAC2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
SMILESCC(C)(CN)COCC1CCOCC1
InChIInChI=1S/C11H23NO2/c1-11(2,8-12)9-14-7-10-3-5-13-6-4-10/h10H,3-9,12H2,1-2H3
InChIKeyGIAGSADTRDDDKH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.41
Rot. Bonds5

About 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine

2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine (PubChem CID 79627779) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
PubChem CID79627779
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
SMILESCC(C)(CN)COCC1CCOCC1
InChIInChI=1S/C11H23NO2/c1-11(2,8-12)9-14-7-10-3-5-13-6-4-10/h10H,3-9,12H2,1-2H3
InChIKeyGIAGSADTRDDDKH-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
CID 106708670
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 79628640
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
CID 62384296
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 55066400
4-(chloromethoxymethyl)oxane
CID 79530199
1-amino-2-cyclopropyl-3-(oxolan-3-ylmethoxy)propan-2-ol
CID 64819659
4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine
CID 66323670
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoic acid
CID 62385992
N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
CID 175659475

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine (CID 79627779) is 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine is CC(C)(CN)COCC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine?
The InChIKey is GIAGSADTRDDDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,8-12)9-14-7-10-3-5-13-6-4-10/h10H,3-9,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine?
2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine is sourced from PubChem (CID 79627779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).