3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol

C12H25NO — CID 104550573

IUPAC3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
SMILESCCCC1CN(CC(CC)CCO)C1
InChIInChI=1S/C12H25NO/c1-3-5-12-9-13(10-12)8-11(4-2)6-7-14/h11-12,14H,3-10H2,1-2H3
InChIKeyKNXJEVVEEPRDHQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds7

About 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol

3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol (PubChem CID 104550573) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
PubChem CID104550573
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
SMILESCCCC1CN(CC(CC)CCO)C1
InChIInChI=1S/C12H25NO/c1-3-5-12-9-13(10-12)8-11(4-2)6-7-14/h11-12,14H,3-10H2,1-2H3
InChIKeyKNXJEVVEEPRDHQ-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
CID 144714373
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
1-(3-propylazetidin-1-yl)butan-2-amine
CID 79678155
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
1-cyclopropyl-2-(3-propylazetidin-1-yl)ethanol
CID 104549602
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
CID 106116996
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
1-(2-ethylpentyl)-3-methylazetidine
CID 170275965
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
2-hydroxy-3-(3-propylazetidin-1-yl)propanamide
CID 106172316
4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
CID 106353580

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol?
The IUPAC name of 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol (CID 104550573) is 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol?
The canonical SMILES for 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol is CCCC1CN(CC(CC)CCO)C1.
What is the InChIKey of 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol?
The InChIKey is KNXJEVVEEPRDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-12-9-13(10-12)8-11(4-2)6-7-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol?
3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol is sourced from PubChem (CID 104550573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).