1-butoxy-N,N-dimethylmethanamine

C7H17NO — CID 12860076

IUPAC1-butoxy-N,N-dimethylmethanamine
SMILESCCCCOCN(C)C
InChIInChI=1S/C7H17NO/c1-4-5-6-9-7-8(2)3/h4-7H2,1-3H3
InChIKeyHPUIQFXZXVKZBN-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.32
Rot. Bonds5

About 1-butoxy-N,N-dimethylmethanamine

1-butoxy-N,N-dimethylmethanamine (PubChem CID 12860076) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-butoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-butoxy-N,N-dimethylmethanamine
PubChem CID12860076
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-butoxy-N,N-dimethylmethanamine
SMILESCCCCOCN(C)C
InChIInChI=1S/C7H17NO/c1-4-5-6-9-7-8(2)3/h4-7H2,1-3H3
InChIKeyHPUIQFXZXVKZBN-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-ethoxy-N,N-dimethylmethanamine
CID 296577
Bis-butoxymethyl-ethyl-amine
CID 21821969
N-(Butoxymethyl)-N-ethylethanamine
CID 12610255
Tris(butoxymethyl)amine
CID 15209158
N,N-bis(butoxymethyl)-N-methylamine
CID 22138601
butyl N,N-di-methyltellurocarbamate
CID 129763447
1-ethoxy-N,N-dimethylmethanamine;rutherfordium
CID 135026443
n-Butoxymethyltrimethylammonium iodide
CID 3026388
Butoxymethyl(trimethyl)azanium
CID 3026389
N,N-dimethylmethanamine;oxolane
CID 11457712
Ethoxymethyl(trimethyl)azanium chloride
CID 12769742
Ethoxymethyl(trimethyl)azanium
CID 12769743

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-butoxy-N,N-dimethylmethanamine (CID 12860076) is 1-butoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-butoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-butoxy-N,N-dimethylmethanamine is CCCCOCN(C)C.
What is the InChIKey of 1-butoxy-N,N-dimethylmethanamine?
The InChIKey is HPUIQFXZXVKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-5-6-9-7-8(2)3/h4-7H2,1-3H3.
What are the key properties of 1-butoxy-N,N-dimethylmethanamine?
1-butoxy-N,N-dimethylmethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 12860076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).