methanamine;2-methylbutanal

C6H15NO — CID 144598169

IUPACmethanamine;2-methylbutanal
SMILESCCC(C)C=O.CN
InChIInChI=1S/C5H10O.CH5N/c1-3-5(2)4-6;1-2/h4-5H,3H2,1-2H3;2H2,1H3
InChIKeyYPAMPTIBAZWMHK-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.81
Rot. Bonds2

About methanamine;2-methylbutanal

methanamine;2-methylbutanal (PubChem CID 144598169) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is methanamine;2-methylbutanal.

Molecular Properties

Compound Namemethanamine;2-methylbutanal
PubChem CID144598169
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namemethanamine;2-methylbutanal
SMILESCCC(C)C=O.CN
InChIInChI=1S/C5H10O.CH5N/c1-3-5(2)4-6;1-2/h4-5H,3H2,1-2H3;2H2,1H3
InChIKeyYPAMPTIBAZWMHK-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.81
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 methanamine;2-methylbutanal?
The IUPAC name of methanamine;2-methylbutanal (CID 144598169) is methanamine;2-methylbutanal.
What is the SMILES notation for methanamine;2-methylbutanal?
The canonical SMILES for methanamine;2-methylbutanal is CCC(C)C=O.CN.
What is the InChIKey of methanamine;2-methylbutanal?
The InChIKey is YPAMPTIBAZWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH5N/c1-3-5(2)4-6;1-2/h4-5H,3H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;2-methylbutanal?
methanamine;2-methylbutanal has a molecular weight of 117.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylbutanal is sourced from PubChem (CID 144598169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).