3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol

C13H27NO — CID 106116996

IUPAC3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
SMILESCCCC(CCO)CN1CC(C(C)C)C1
InChIInChI=1S/C13H27NO/c1-4-5-12(6-7-15)8-14-9-13(10-14)11(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyVNLWJIQXRVSNCF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.37
Rot. Bonds7

About 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol

3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol (PubChem CID 106116996) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
PubChem CID106116996
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
SMILESCCCC(CCO)CN1CC(C(C)C)C1
InChIInChI=1S/C13H27NO/c1-4-5-12(6-7-15)8-14-9-13(10-14)11(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyVNLWJIQXRVSNCF-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol?
The IUPAC name of 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol (CID 106116996) is 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol?
The canonical SMILES for 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol is CCCC(CCO)CN1CC(C(C)C)C1.
What is the InChIKey of 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol?
The InChIKey is VNLWJIQXRVSNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-12(6-7-15)8-14-9-13(10-14)11(2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol?
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol is sourced from PubChem (CID 106116996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).