(3-butan-2-yloxetan-3-yl)methanamine

C8H17NO — CID 139418018

IUPAC(3-butan-2-yloxetan-3-yl)methanamine
SMILESCCC(C)C1(CN)COC1
InChIInChI=1S/C8H17NO/c1-3-7(2)8(4-9)5-10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyMJQZEHGNOMIGCZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.01
Rot. Bonds3

About (3-butan-2-yloxetan-3-yl)methanamine

(3-butan-2-yloxetan-3-yl)methanamine (PubChem CID 139418018) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3-butan-2-yloxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-butan-2-yloxetan-3-yl)methanamine
PubChem CID139418018
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3-butan-2-yloxetan-3-yl)methanamine
SMILESCCC(C)C1(CN)COC1
InChIInChI=1S/C8H17NO/c1-3-7(2)8(4-9)5-10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyMJQZEHGNOMIGCZ-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yloxetan-3-yl)methanamine?
The IUPAC name of (3-butan-2-yloxetan-3-yl)methanamine (CID 139418018) is (3-butan-2-yloxetan-3-yl)methanamine.
What is the SMILES notation for (3-butan-2-yloxetan-3-yl)methanamine?
The canonical SMILES for (3-butan-2-yloxetan-3-yl)methanamine is CCC(C)C1(CN)COC1.
What is the InChIKey of (3-butan-2-yloxetan-3-yl)methanamine?
The InChIKey is MJQZEHGNOMIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7(2)8(4-9)5-10-6-8/h7H,3-6,9H2,1-2H3.
What are the key properties of (3-butan-2-yloxetan-3-yl)methanamine?
(3-butan-2-yloxetan-3-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yloxetan-3-yl)methanamine is sourced from PubChem (CID 139418018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).