4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol

C12H25NO2 — CID 115751370

IUPAC4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol
SMILESCC1OCCC1NCC(O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9-11(5-6-15-9)13-8-10(14)7-12(2,3)4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyWZZBYVPJNPVDPZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds4

About 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol

4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol (PubChem CID 115751370) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol
PubChem CID115751370
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol
SMILESCC1OCCC1NCC(O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9-11(5-6-15-9)13-8-10(14)7-12(2,3)4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyWZZBYVPJNPVDPZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2R,3R)-2-methyloxolan-3-yl]amino]propan-2-ol
CID 97358024
1-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 75525152
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 115721189
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
CID 82726081
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol (CID 115751370) is 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol is CC1OCCC1NCC(O)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol?
The InChIKey is WZZBYVPJNPVDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9-11(5-6-15-9)13-8-10(14)7-12(2,3)4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol?
4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 115751370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).