(3-butyloxetan-3-yl)methanamine

C8H17NO — CID 90208291

IUPAC(3-butyloxetan-3-yl)methanamine
SMILESCCCCC1(CN)COC1
InChIInChI=1S/C8H17NO/c1-2-3-4-8(5-9)6-10-7-8/h2-7,9H2,1H3
InChIKeyZKZODLUIEJZOMP-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds4

About (3-butyloxetan-3-yl)methanamine

(3-butyloxetan-3-yl)methanamine (PubChem CID 90208291) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3-butyloxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-butyloxetan-3-yl)methanamine
PubChem CID90208291
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3-butyloxetan-3-yl)methanamine
SMILESCCCCC1(CN)COC1
InChIInChI=1S/C8H17NO/c1-2-3-4-8(5-9)6-10-7-8/h2-7,9H2,1H3
InChIKeyZKZODLUIEJZOMP-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-butyloxetan-3-yl)methanamine?
The IUPAC name of (3-butyloxetan-3-yl)methanamine (CID 90208291) is (3-butyloxetan-3-yl)methanamine.
What is the SMILES notation for (3-butyloxetan-3-yl)methanamine?
The canonical SMILES for (3-butyloxetan-3-yl)methanamine is CCCCC1(CN)COC1.
What is the InChIKey of (3-butyloxetan-3-yl)methanamine?
The InChIKey is ZKZODLUIEJZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-8(5-9)6-10-7-8/h2-7,9H2,1H3.
What are the key properties of (3-butyloxetan-3-yl)methanamine?
(3-butyloxetan-3-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyloxetan-3-yl)methanamine is sourced from PubChem (CID 90208291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).