1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol

C13H28N2O2 — CID 106147595

IUPAC1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCC1CCC(C)(C)O1
InChIInChI=1S/C13H28N2O2/c1-12(2)7-6-11(17-12)8-14-9-13(3,16)10-15(4)5/h11,14,16H,6-10H2,1-5H3
InChIKeyGPGKNAJYWCYDKK-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds6

About 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol (PubChem CID 106147595) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol
PubChem CID106147595
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCC1CCC(C)(C)O1
InChIInChI=1S/C13H28N2O2/c1-12(2)7-6-11(17-12)8-14-9-13(3,16)10-15(4)5/h11,14,16H,6-10H2,1-5H3
InChIKeyGPGKNAJYWCYDKK-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
N,N,2,2-tetramethyl-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,3-diamine
CID 102896603
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
2-N,2-N,2-trimethyl-1-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,2-diamine
CID 102897097
1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
CID 116521376
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515
tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103838891
3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
CID 106100604

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol (CID 106147595) is 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCC1CCC(C)(C)O1.
What is the InChIKey of 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol?
The InChIKey is GPGKNAJYWCYDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2)7-6-11(17-12)8-14-9-13(3,16)10-15(4)5/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106147595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).