4-[(2-methylpropylamino)methyl]azetidin-2-ol

C8H18N2O — CID 134240498

IUPAC4-[(2-methylpropylamino)methyl]azetidin-2-ol
SMILESCC(C)CNCC1CC(O)N1
InChIInChI=1S/C8H18N2O/c1-6(2)4-9-5-7-3-8(11)10-7/h6-11H,3-5H2,1-2H3
InChIKeyVNXPJCPVGPJZOQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.09
Rot. Bonds4

About 4-[(2-methylpropylamino)methyl]azetidin-2-ol

4-[(2-methylpropylamino)methyl]azetidin-2-ol (PubChem CID 134240498) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]azetidin-2-ol.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]azetidin-2-ol
PubChem CID134240498
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name4-[(2-methylpropylamino)methyl]azetidin-2-ol
SMILESCC(C)CNCC1CC(O)N1
InChIInChI=1S/C8H18N2O/c1-6(2)4-9-5-7-3-8(11)10-7/h6-11H,3-5H2,1-2H3
InChIKeyVNXPJCPVGPJZOQ-UHFFFAOYSA-N
XLogP-0.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]azetidin-2-ol?
The IUPAC name of 4-[(2-methylpropylamino)methyl]azetidin-2-ol (CID 134240498) is 4-[(2-methylpropylamino)methyl]azetidin-2-ol.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]azetidin-2-ol?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]azetidin-2-ol is CC(C)CNCC1CC(O)N1.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]azetidin-2-ol?
The InChIKey is VNXPJCPVGPJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)4-9-5-7-3-8(11)10-7/h6-11H,3-5H2,1-2H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]azetidin-2-ol?
4-[(2-methylpropylamino)methyl]azetidin-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]azetidin-2-ol is sourced from PubChem (CID 134240498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).