1-methoxybutane;N-methylmethanamine

C7H19NO — CID 144512984

IUPAC1-methoxybutane;N-methylmethanamine
SMILESCCCCOC.CNC
InChIInChI=1S/C5H12O.C2H7N/c1-3-4-5-6-2;1-3-2/h3-5H2,1-2H3;3H,1-2H3
InChIKeyYWNJXGHVMUFUDW-UHFFFAOYSA-N
MW133.23 g/mol
LogP1.27
Rot. Bonds3

About 1-methoxybutane;N-methylmethanamine

1-methoxybutane;N-methylmethanamine (PubChem CID 144512984) has the molecular formula C7H19NO and a molecular weight of 133.23 g/mol. Its IUPAC name is 1-methoxybutane;N-methylmethanamine.

Molecular Properties

Compound Name1-methoxybutane;N-methylmethanamine
PubChem CID144512984
Molecular FormulaC7H19NO
Molecular Weight133.23 g/mol
Exact Mass133.15
IUPAC Name1-methoxybutane;N-methylmethanamine
SMILESCCCCOC.CNC
InChIInChI=1S/C5H12O.C2H7N/c1-3-4-5-6-2;1-3-2/h3-5H2,1-2H3;3H,1-2H3
InChIKeyYWNJXGHVMUFUDW-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175076057
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1-butoxy-4-methoxybutane
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1-methoxyhexacosane
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1-butoxybutane;N-methylmethanamine
CID 88830911
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446
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CID 174553670
3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
ethane-1,2-diol;ethoxyethane;1-methoxybutane
CID 87456565
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butyl 3-methoxypropyl carbonate
CID 87247582

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutane;N-methylmethanamine?
The IUPAC name of 1-methoxybutane;N-methylmethanamine (CID 144512984) is 1-methoxybutane;N-methylmethanamine.
What is the SMILES notation for 1-methoxybutane;N-methylmethanamine?
The canonical SMILES for 1-methoxybutane;N-methylmethanamine is CCCCOC.CNC.
What is the InChIKey of 1-methoxybutane;N-methylmethanamine?
The InChIKey is YWNJXGHVMUFUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C2H7N/c1-3-4-5-6-2;1-3-2/h3-5H2,1-2H3;3H,1-2H3.
What are the key properties of 1-methoxybutane;N-methylmethanamine?
1-methoxybutane;N-methylmethanamine has a molecular weight of 133.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutane;N-methylmethanamine is sourced from PubChem (CID 144512984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).