4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol

C13H27NO — CID 106353580

IUPAC4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
SMILESCCCC1CN(C(CCO)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-6-11-9-14(10-11)12(7-8-15)13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeySXWRMYUWIQWXGX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds5

About 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol

4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol (PubChem CID 106353580) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
PubChem CID106353580
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
SMILESCCCC1CN(C(CCO)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-6-11-9-14(10-11)12(7-8-15)13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeySXWRMYUWIQWXGX-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol
CID 106353579
(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
CID 107861581
3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
CID 106353639
2-(3-propylazetidin-1-yl)pentanoic acid
CID 79695238
2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 113419338
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
2-methyl-2-(3-propylazetidin-1-yl)propanoic acid
CID 79695153
1-(2,2-dimethylundecan-3-yl)pyrrolidine
CID 150582277
2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol
CID 106253839
3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 104840511

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol (CID 106353580) is 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol is CCCC1CN(C(CCO)C(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol?
The InChIKey is SXWRMYUWIQWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-11-9-14(10-11)12(7-8-15)13(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol?
4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106353580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).