3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol

C11H23NO — CID 104550305

IUPAC3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
SMILESCCCC1CN(CC(C)CCO)C1
InChIInChI=1S/C11H23NO/c1-3-4-11-8-12(9-11)7-10(2)5-6-13/h10-11,13H,3-9H2,1-2H3
InChIKeyUMPRQYCBKBDUJR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds6

About 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol

3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol (PubChem CID 104550305) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
PubChem CID104550305
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
SMILESCCCC1CN(CC(C)CCO)C1
InChIInChI=1S/C11H23NO/c1-3-4-11-8-12(9-11)7-10(2)5-6-13/h10-11,13H,3-9H2,1-2H3
InChIKeyUMPRQYCBKBDUJR-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573
1-cyclopropyl-2-(3-propylazetidin-1-yl)ethanol
CID 104549602
1-(3-propylazetidin-1-yl)butan-2-amine
CID 79678155
2-hydroxy-3-(3-propylazetidin-1-yl)propanamide
CID 106172316
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
CID 106353580
3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
CID 144714373
2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol
CID 106253839
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
CID 106116996
(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
CID 107861581

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol?
The IUPAC name of 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol (CID 104550305) is 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol?
The canonical SMILES for 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol is CCCC1CN(CC(C)CCO)C1.
What is the InChIKey of 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol?
The InChIKey is UMPRQYCBKBDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-11-8-12(9-11)7-10(2)5-6-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol?
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol is sourced from PubChem (CID 104550305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).