2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol

C13H27NO2 — CID 115895173

IUPAC2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)CC1CCCO1
InChIInChI=1S/C13H27NO2/c1-4-13(3,10-15)9-14-11(2)8-12-6-5-7-16-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyVRJBUIWBHYEHCS-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol

2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol (PubChem CID 115895173) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
PubChem CID115895173
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)CC1CCCO1
InChIInChI=1S/C13H27NO2/c1-4-13(3,10-15)9-14-11(2)8-12-6-5-7-16-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyVRJBUIWBHYEHCS-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-methyl-2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115927323
2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
CID 115717829
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
N-ethyl-3-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 63717607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol (CID 115895173) is 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol is CCC(C)(CO)CNC(C)CC1CCCO1.
What is the InChIKey of 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol?
The InChIKey is VRJBUIWBHYEHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(3,10-15)9-14-11(2)8-12-6-5-7-16-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol?
2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol is sourced from PubChem (CID 115895173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).