1-butoxy-N,N-bis(butoxymethyl)methanamine

C15H33NO3 — CID 15209158

IUPAC1-butoxy-N,N-bis(butoxymethyl)methanamine
SMILESCCCCOCN(COCCCC)COCCCC
InChIInChI=1S/C15H33NO3/c1-4-7-10-17-13-16(14-18-11-8-5-2)15-19-12-9-6-3/h4-15H2,1-3H3
InChIKeyKGIBFRBYYCIFSN-UHFFFAOYSA-N
MW275.43 g/mol
LogP3.61
Rot. Bonds15

About 1-butoxy-N,N-bis(butoxymethyl)methanamine

1-butoxy-N,N-bis(butoxymethyl)methanamine (PubChem CID 15209158) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-butoxy-N,N-bis(butoxymethyl)methanamine.

Molecular Properties

Compound Name1-butoxy-N,N-bis(butoxymethyl)methanamine
PubChem CID15209158
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-butoxy-N,N-bis(butoxymethyl)methanamine
SMILESCCCCOCN(COCCCC)COCCCC
InChIInChI=1S/C15H33NO3/c1-4-7-10-17-13-16(14-18-11-8-5-2)15-19-12-9-6-3/h4-15H2,1-3H3
InChIKeyKGIBFRBYYCIFSN-UHFFFAOYSA-N
XLogP3.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Bis-butoxymethyl-ethyl-amine
CID 21821969
1-Butoxy-N,N-dimethylmethanamine
CID 12860076
N,N-bis(butoxymethyl)-N-methylamine
CID 22138601
1-butoxy-N-[butoxy(fluoro)methyl]-1-fluoro-N-methylmethanamine
CID 149978176
n-Butoxymethyltrimethylammonium iodide
CID 3026388
Butoxymethyl(trimethyl)azanium
CID 3026389
Trimethyl(propoxymethyl)azanium
CID 12769745
Butoxy-N,N,N-trimethylmethanaminium chloride
CID 12769746
N,N-dimethyl-1-pentoxymethanamine
CID 20146190
1-ethoxy-N,N-bis(ethoxymethyl)methanamine
CID 20439624
Butan-1-olate;tetramethylazanium
CID 20562223
N,N-di(isobutoxymethyl)-N-methylamine
CID 21821394

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N,N-bis(butoxymethyl)methanamine?
The IUPAC name of 1-butoxy-N,N-bis(butoxymethyl)methanamine (CID 15209158) is 1-butoxy-N,N-bis(butoxymethyl)methanamine.
What is the SMILES notation for 1-butoxy-N,N-bis(butoxymethyl)methanamine?
The canonical SMILES for 1-butoxy-N,N-bis(butoxymethyl)methanamine is CCCCOCN(COCCCC)COCCCC.
What is the InChIKey of 1-butoxy-N,N-bis(butoxymethyl)methanamine?
The InChIKey is KGIBFRBYYCIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-4-7-10-17-13-16(14-18-11-8-5-2)15-19-12-9-6-3/h4-15H2,1-3H3.
What are the key properties of 1-butoxy-N,N-bis(butoxymethyl)methanamine?
1-butoxy-N,N-bis(butoxymethyl)methanamine has a molecular weight of 275.43 g/mol, XLogP of 3.61, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N,N-bis(butoxymethyl)methanamine is sourced from PubChem (CID 15209158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).