4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol

C13H27NO2 — CID 107152092

IUPAC4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-13(2,3)9-11(15)10-14-7-6-12-5-4-8-16-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyGEKFTGYVRFTJBQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds6

About 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol

4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol (PubChem CID 107152092) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
PubChem CID107152092
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-13(2,3)9-11(15)10-14-7-6-12-5-4-8-16-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyGEKFTGYVRFTJBQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
CID 61141174
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
[5,5-dimethyl-1-(oxolan-2-yl)hexan-3-yl]hydrazine
CID 105220277
1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60634018
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-2-en-1-amine
CID 106546965

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol (CID 107152092) is 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol is CC(C)(C)CC(O)CNCCC1CCCO1.
What is the InChIKey of 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol?
The InChIKey is GEKFTGYVRFTJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,3)9-11(15)10-14-7-6-12-5-4-8-16-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol?
4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 6 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-(oxolan-2-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 107152092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).