1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol

C14H29NO — CID 104549849

IUPAC1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
SMILESCCCC1(CCC)CN(CC(C)(O)CC)C1
InChIInChI=1S/C14H29NO/c1-5-8-14(9-6-2)11-15(12-14)10-13(4,16)7-3/h16H,5-12H2,1-4H3
InChIKeyVVBZMYGDPGHNGR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds7

About 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol

1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol (PubChem CID 104549849) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
PubChem CID104549849
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
SMILESCCCC1(CCC)CN(CC(C)(O)CC)C1
InChIInChI=1S/C14H29NO/c1-5-8-14(9-6-2)11-15(12-14)10-13(4,16)7-3/h16H,5-12H2,1-4H3
InChIKeyVVBZMYGDPGHNGR-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
2-(3,3-dipropylazetidin-1-yl)-2-methylpropane-1,3-diol
CID 104550734
1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol
CID 126989193
4-(3,3-dipropylazetidin-1-yl)butan-2-ol
CID 104549768
2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid
CID 79695027
5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
CID 107319611
3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
CID 114494933
2-(3-ethyl-3-propylazetidin-1-yl)acetic acid
CID 166719252
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine
CID 115306389
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol (CID 104549849) is 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol is CCCC1(CCC)CN(CC(C)(O)CC)C1.
What is the InChIKey of 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol?
The InChIKey is VVBZMYGDPGHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-14(9-6-2)11-15(12-14)10-13(4,16)7-3/h16H,5-12H2,1-4H3.
What are the key properties of 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol?
1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 104549849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).