1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine

C10H21NO — CID 163557055

IUPAC1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine
SMILESCC(N)CC1OC(C)C(C)C1C
InChIInChI=1S/C10H21NO/c1-6(11)5-10-8(3)7(2)9(4)12-10/h6-10H,5,11H2,1-4H3
InChIKeyFNYXEECHWQHVNT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.78
Rot. Bonds2

About 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine

1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine (PubChem CID 163557055) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine
PubChem CID163557055
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine
SMILESCC(N)CC1OC(C)C(C)C1C
InChIInChI=1S/C10H21NO/c1-6(11)5-10-8(3)7(2)9(4)12-10/h6-10H,5,11H2,1-4H3
InChIKeyFNYXEECHWQHVNT-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)oxan-4-amine
CID 46785833
2-(2-Methylpropyl)oxan-4-amine
CID 64104920
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
3-Cyclopentyl-3-ethoxypropan-1-amine
CID 72125032
2-{5-Oxaspiro[3.4]octan-6-yl}ethan-1-amine
CID 130585754
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992625
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
4,4,4-Trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
CID 104992980
5,5,5-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
CID 105023846

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine (CID 163557055) is 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine is CC(N)CC1OC(C)C(C)C1C.
What is the InChIKey of 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine?
The InChIKey is FNYXEECHWQHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6(11)5-10-8(3)7(2)9(4)12-10/h6-10H,5,11H2,1-4H3.
What are the key properties of 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine?
1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethyloxolan-2-yl)propan-2-amine is sourced from PubChem (CID 163557055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).