3-[butyl(methyl)amino]cyclobutan-1-ol

C9H19NO — CID 131226136

IUPAC3-[butyl(methyl)amino]cyclobutan-1-ol
SMILESCCCCN(C)C1CC(O)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-10(2)8-6-9(11)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyNKIBZNVNCNIQBB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds4

About 3-[butyl(methyl)amino]cyclobutan-1-ol

3-[butyl(methyl)amino]cyclobutan-1-ol (PubChem CID 131226136) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[butyl(methyl)amino]cyclobutan-1-ol
PubChem CID131226136
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[butyl(methyl)amino]cyclobutan-1-ol
SMILESCCCCN(C)C1CC(O)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-10(2)8-6-9(11)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyNKIBZNVNCNIQBB-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[butyl(methyl)amino]cyclobutan-1-ol (CID 131226136) is 3-[butyl(methyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[butyl(methyl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[butyl(methyl)amino]cyclobutan-1-ol is CCCCN(C)C1CC(O)C1.
What is the InChIKey of 3-[butyl(methyl)amino]cyclobutan-1-ol?
The InChIKey is NKIBZNVNCNIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-10(2)8-6-9(11)7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-[butyl(methyl)amino]cyclobutan-1-ol?
3-[butyl(methyl)amino]cyclobutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 131226136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).