4-(3,3-dipropylazetidin-1-yl)butan-2-ol

C13H27NO — CID 104549768

IUPAC4-(3,3-dipropylazetidin-1-yl)butan-2-ol
SMILESCCCC1(CCC)CN(CCC(C)O)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(8-5-2)10-14(11-13)9-6-12(3)15/h12,15H,4-11H2,1-3H3
InChIKeyBSPAOSYCTBSBBA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds7

About 4-(3,3-dipropylazetidin-1-yl)butan-2-ol

4-(3,3-dipropylazetidin-1-yl)butan-2-ol (PubChem CID 104549768) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(3,3-dipropylazetidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3,3-dipropylazetidin-1-yl)butan-2-ol
PubChem CID104549768
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(3,3-dipropylazetidin-1-yl)butan-2-ol
SMILESCCCC1(CCC)CN(CCC(C)O)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(8-5-2)10-14(11-13)9-6-12(3)15/h12,15H,4-11H2,1-3H3
InChIKeyBSPAOSYCTBSBBA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
The IUPAC name of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol (CID 104549768) is 4-(3,3-dipropylazetidin-1-yl)butan-2-ol.
What is the SMILES notation for 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
The canonical SMILES for 4-(3,3-dipropylazetidin-1-yl)butan-2-ol is CCCC1(CCC)CN(CCC(C)O)C1.
What is the InChIKey of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
The InChIKey is BSPAOSYCTBSBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(8-5-2)10-14(11-13)9-6-12(3)15/h12,15H,4-11H2,1-3H3.
What are the key properties of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
4-(3,3-dipropylazetidin-1-yl)butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dipropylazetidin-1-yl)butan-2-ol is sourced from PubChem (CID 104549768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).