3-butyl-N,N-dimethyloxetan-3-amine

C9H19NO — CID 167242715

IUPAC3-butyl-N,N-dimethyloxetan-3-amine
SMILESCCCCC1(N(C)C)COC1
InChIInChI=1S/C9H19NO/c1-4-5-6-9(10(2)3)7-11-8-9/h4-8H2,1-3H3
InChIKeyNNFHSRKJQFNCAG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About 3-butyl-N,N-dimethyloxetan-3-amine

3-butyl-N,N-dimethyloxetan-3-amine (PubChem CID 167242715) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-butyl-N,N-dimethyloxetan-3-amine.

Molecular Properties

Compound Name3-butyl-N,N-dimethyloxetan-3-amine
PubChem CID167242715
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-butyl-N,N-dimethyloxetan-3-amine
SMILESCCCCC1(N(C)C)COC1
InChIInChI=1S/C9H19NO/c1-4-5-6-9(10(2)3)7-11-8-9/h4-8H2,1-3H3
InChIKeyNNFHSRKJQFNCAG-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-N,N-dimethyloxetan-3-amine?
The IUPAC name of 3-butyl-N,N-dimethyloxetan-3-amine (CID 167242715) is 3-butyl-N,N-dimethyloxetan-3-amine.
What is the SMILES notation for 3-butyl-N,N-dimethyloxetan-3-amine?
The canonical SMILES for 3-butyl-N,N-dimethyloxetan-3-amine is CCCCC1(N(C)C)COC1.
What is the InChIKey of 3-butyl-N,N-dimethyloxetan-3-amine?
The InChIKey is NNFHSRKJQFNCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-9(10(2)3)7-11-8-9/h4-8H2,1-3H3.
What are the key properties of 3-butyl-N,N-dimethyloxetan-3-amine?
3-butyl-N,N-dimethyloxetan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N,N-dimethyloxetan-3-amine is sourced from PubChem (CID 167242715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).