2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol

C13H27NO — CID 106253839

IUPAC2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol
SMILESCCCC1CN(CC(CC)(CC)CO)C1
InChIInChI=1S/C13H27NO/c1-4-7-12-8-14(9-12)10-13(5-2,6-3)11-15/h12,15H,4-11H2,1-3H3
InChIKeyMBNLVTBMSMVWAS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds7

About 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol

2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol (PubChem CID 106253839) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol
PubChem CID106253839
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol
SMILESCCCC1CN(CC(CC)(CC)CO)C1
InChIInChI=1S/C13H27NO/c1-4-7-12-8-14(9-12)10-13(5-2,6-3)11-15/h12,15H,4-11H2,1-3H3
InChIKeyMBNLVTBMSMVWAS-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 103539263
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 62930460
2-[(3,3-dimethoxyazetidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 106253777
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
CID 103358649
1-cyclopropyl-2-(3-propylazetidin-1-yl)ethanol
CID 104549602

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol (CID 106253839) is 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol is CCCC1CN(CC(CC)(CC)CO)C1.
What is the InChIKey of 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol?
The InChIKey is MBNLVTBMSMVWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-12-8-14(9-12)10-13(5-2,6-3)11-15/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol?
2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol is sourced from PubChem (CID 106253839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).