3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol

C11H23NO2 — CID 106172498

IUPAC3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-11(2,6-7-13)12-9-10-5-4-8-14-10/h10,12-13H,3-9H2,1-2H3
InChIKeyABJVIVUWHSSAAO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds6

About 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol

3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol (PubChem CID 106172498) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
PubChem CID106172498
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-11(2,6-7-13)12-9-10-5-4-8-14-10/h10,12-13H,3-9H2,1-2H3
InChIKeyABJVIVUWHSSAAO-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol
CID 97046341
2-methyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378813
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
CID 81101332
2,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378602
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
2-methyl-2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115927323
N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
CID 131176990
2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050759
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
4,4-dimethyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 104628087
2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 65377354

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol (CID 106172498) is 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol is CCC(C)(CCO)NCC1CCCO1.
What is the InChIKey of 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol?
The InChIKey is ABJVIVUWHSSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-11(2,6-7-13)12-9-10-5-4-8-14-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol?
3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 106172498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).