methanamine;N-methylbutan-1-amine

C6H18N2 — CID 22649696

IUPACmethanamine;N-methylbutan-1-amine
SMILESCCCCNC.CN
InChIInChI=1S/C5H13N.CH5N/c1-3-4-5-6-2;1-2/h6H,3-5H2,1-2H3;2H2,1H3
InChIKeyHMGWFYXWJRXWMF-UHFFFAOYSA-N
MW118.22 g/mol
LogP0.58
Rot. Bonds3

About methanamine;N-methylbutan-1-amine

methanamine;N-methylbutan-1-amine (PubChem CID 22649696) has the molecular formula C6H18N2 and a molecular weight of 118.22 g/mol. Its IUPAC name is methanamine;N-methylbutan-1-amine.

Molecular Properties

Compound Namemethanamine;N-methylbutan-1-amine
PubChem CID22649696
Molecular FormulaC6H18N2
Molecular Weight118.22 g/mol
Exact Mass118.15
IUPAC Namemethanamine;N-methylbutan-1-amine
SMILESCCCCNC.CN
InChIInChI=1S/C5H13N.CH5N/c1-3-4-5-6-2;1-2/h6H,3-5H2,1-2H3;2H2,1H3
InChIKeyHMGWFYXWJRXWMF-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;N-methylbutan-1-amine?
The IUPAC name of methanamine;N-methylbutan-1-amine (CID 22649696) is methanamine;N-methylbutan-1-amine.
What is the SMILES notation for methanamine;N-methylbutan-1-amine?
The canonical SMILES for methanamine;N-methylbutan-1-amine is CCCCNC.CN.
What is the InChIKey of methanamine;N-methylbutan-1-amine?
The InChIKey is HMGWFYXWJRXWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.CH5N/c1-3-4-5-6-2;1-2/h6H,3-5H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;N-methylbutan-1-amine?
methanamine;N-methylbutan-1-amine has a molecular weight of 118.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-methylbutan-1-amine is sourced from PubChem (CID 22649696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).