N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine

C8H20N2O — CID 143448630

IUPACN'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)CCCCOC
InChIInChI=1S/C8H20N2O/c1-9-8-10(2)6-4-5-7-11-3/h9H,4-8H2,1-3H3
InChIKeyAEVVREUWSUGTLJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.52
Rot. Bonds7

About N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine

N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine (PubChem CID 143448630) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
PubChem CID143448630
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)CCCCOC
InChIInChI=1S/C8H20N2O/c1-9-8-10(2)6-4-5-7-11-3/h9H,4-8H2,1-3H3
InChIKeyAEVVREUWSUGTLJ-UHFFFAOYSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
CID 177247615
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
CID 63009891
1-methoxybutane;N-methylmethanamine
CID 144512984

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine (CID 143448630) is N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine is CNCN(C)CCCCOC.
What is the InChIKey of N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine?
The InChIKey is AEVVREUWSUGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-9-8-10(2)6-4-5-7-11-3/h9H,4-8H2,1-3H3.
What are the key properties of N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine?
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine has a molecular weight of 160.26 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 143448630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).