2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine

C13H27NO — CID 62719213

IUPAC2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C13H27NO/c1-11(2)8-13(6-7-15-10-13)9-14-12(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyASQLPRRYYCOIIS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62719213) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID62719213
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C13H27NO/c1-11(2)8-13(6-7-15-10-13)9-14-12(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyASQLPRRYYCOIIS-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719036
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104566610
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine
CID 62905566
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79377988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine (CID 62719213) is 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is ASQLPRRYYCOIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)8-13(6-7-15-10-13)9-14-12(3,4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62719213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).