2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine

C13H27NO2 — CID 106708670

IUPAC2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
SMILESCC(C)(CN)CCCCOCC1CCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,11-14)6-3-4-7-15-9-12-5-8-16-10-12/h12H,3-11,14H2,1-2H3
InChIKeyKWGMQWRTUVOTNU-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds8

About 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine

2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine (PubChem CID 106708670) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
PubChem CID106708670
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
SMILESCC(C)(CN)CCCCOCC1CCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,11-14)6-3-4-7-15-9-12-5-8-16-10-12/h12H,3-11,14H2,1-2H3
InChIKeyKWGMQWRTUVOTNU-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
CID 79627779
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine
CID 66323670
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
CID 64810389
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
CID 119800069
1-amino-2-cyclopropyl-3-(oxolan-3-ylmethoxy)propan-2-ol
CID 64819659
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 79628640
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine (CID 106708670) is 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine is CC(C)(CN)CCCCOCC1CCOC1.
What is the InChIKey of 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine?
The InChIKey is KWGMQWRTUVOTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,11-14)6-3-4-7-15-9-12-5-8-16-10-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine?
2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine is sourced from PubChem (CID 106708670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).