N-methylbutan-1-amine;N-methylmethanamine

C7H20N2 — CID 166080621

IUPACN-methylbutan-1-amine;N-methylmethanamine
SMILESCCCCNC.CNC
InChIInChI=1S/C5H13N.C2H7N/c1-3-4-5-6-2;1-3-2/h6H,3-5H2,1-2H3;3H,1-2H3
InChIKeyGANRJSYGSFINFJ-UHFFFAOYSA-N
MW132.25 g/mol
LogP0.84
Rot. Bonds3

About N-methylbutan-1-amine;N-methylmethanamine

N-methylbutan-1-amine;N-methylmethanamine (PubChem CID 166080621) has the molecular formula C7H20N2 and a molecular weight of 132.25 g/mol. Its IUPAC name is N-methylbutan-1-amine;N-methylmethanamine.

Molecular Properties

Compound NameN-methylbutan-1-amine;N-methylmethanamine
PubChem CID166080621
Molecular FormulaC7H20N2
Molecular Weight132.25 g/mol
Exact Mass132.16
IUPAC NameN-methylbutan-1-amine;N-methylmethanamine
SMILESCCCCNC.CNC
InChIInChI=1S/C5H13N.C2H7N/c1-3-4-5-6-2;1-3-2/h6H,3-5H2,1-2H3;3H,1-2H3
InChIKeyGANRJSYGSFINFJ-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 50.84
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 N-methylbutan-1-amine;N-methylmethanamine?
The IUPAC name of N-methylbutan-1-amine;N-methylmethanamine (CID 166080621) is N-methylbutan-1-amine;N-methylmethanamine.
What is the SMILES notation for N-methylbutan-1-amine;N-methylmethanamine?
The canonical SMILES for N-methylbutan-1-amine;N-methylmethanamine is CCCCNC.CNC.
What is the InChIKey of N-methylbutan-1-amine;N-methylmethanamine?
The InChIKey is GANRJSYGSFINFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2H7N/c1-3-4-5-6-2;1-3-2/h6H,3-5H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylbutan-1-amine;N-methylmethanamine?
N-methylbutan-1-amine;N-methylmethanamine has a molecular weight of 132.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutan-1-amine;N-methylmethanamine is sourced from PubChem (CID 166080621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).