4-(azetidin-3-ylamino)-3-methylbutan-1-ol

C8H18N2O — CID 66090650

IUPAC4-(azetidin-3-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CNC1
InChIInChI=1S/C8H18N2O/c1-7(2-3-11)4-10-8-5-9-6-8/h7-11H,2-6H2,1H3
InChIKeyITICKXKPIPZXTN-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.43
Rot. Bonds5

About 4-(azetidin-3-ylamino)-3-methylbutan-1-ol

4-(azetidin-3-ylamino)-3-methylbutan-1-ol (PubChem CID 66090650) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)-3-methylbutan-1-ol
PubChem CID66090650
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-(azetidin-3-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CNC1
InChIInChI=1S/C8H18N2O/c1-7(2-3-11)4-10-8-5-9-6-8/h7-11H,2-6H2,1H3
InChIKeyITICKXKPIPZXTN-UHFFFAOYSA-N
XLogP-0.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(azetidin-3-ylamino)-3-methylbutan-1-ol (CID 66090650) is 4-(azetidin-3-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(azetidin-3-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(azetidin-3-ylamino)-3-methylbutan-1-ol is CC(CCO)CNC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylamino)-3-methylbutan-1-ol?
The InChIKey is ITICKXKPIPZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2-3-11)4-10-8-5-9-6-8/h7-11H,2-6H2,1H3.
What are the key properties of 4-(azetidin-3-ylamino)-3-methylbutan-1-ol?
4-(azetidin-3-ylamino)-3-methylbutan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 66090650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).