5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol

C14H29NO — CID 106146105

IUPAC5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CN1CC(C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-13(2,3)12-9-15(10-12)11-14(4,5)7-6-8-16/h12,16H,6-11H2,1-5H3
InChIKeyFWTLXWUZNRDVEI-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.76
Rot. Bonds5

About 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol

5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol (PubChem CID 106146105) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol
PubChem CID106146105
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CN1CC(C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-13(2,3)12-9-15(10-12)11-14(4,5)7-6-8-16/h12,16H,6-11H2,1-5H3
InChIKeyFWTLXWUZNRDVEI-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol (CID 106146105) is 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CN1CC(C(C)(C)C)C1.
What is the InChIKey of 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is FWTLXWUZNRDVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)12-9-15(10-12)11-14(4,5)7-6-8-16/h12,16H,6-11H2,1-5H3.
What are the key properties of 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol?
5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylazetidin-1-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106146105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).