2-(aminomethyl)-2-methylbutanal

C6H13NO — CID 91122318

IUPAC2-(aminomethyl)-2-methylbutanal
SMILESCCC(C)(C=O)CN
InChIInChI=1S/C6H13NO/c1-3-6(2,4-7)5-8/h5H,3-4,7H2,1-2H3
InChIKeyLNBBURSYJLBGSU-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.56
Rot. Bonds3

About 2-(aminomethyl)-2-methylbutanal

2-(aminomethyl)-2-methylbutanal (PubChem CID 91122318) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylbutanal.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylbutanal
PubChem CID91122318
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(aminomethyl)-2-methylbutanal
SMILESCCC(C)(C=O)CN
InChIInChI=1S/C6H13NO/c1-3-6(2,4-7)5-8/h5H,3-4,7H2,1-2H3
InChIKeyLNBBURSYJLBGSU-UHFFFAOYSA-N
XLogP0.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylbutanal?
The IUPAC name of 2-(aminomethyl)-2-methylbutanal (CID 91122318) is 2-(aminomethyl)-2-methylbutanal.
What is the SMILES notation for 2-(aminomethyl)-2-methylbutanal?
The canonical SMILES for 2-(aminomethyl)-2-methylbutanal is CCC(C)(C=O)CN.
What is the InChIKey of 2-(aminomethyl)-2-methylbutanal?
The InChIKey is LNBBURSYJLBGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(2,4-7)5-8/h5H,3-4,7H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-methylbutanal?
2-(aminomethyl)-2-methylbutanal has a molecular weight of 115.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methylbutanal is sourced from PubChem (CID 91122318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).