N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine

C15H34N2O — CID 62569487

IUPACN',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
SMILESCCCCN(CCCC)CCCCNCCOC
InChIInChI=1S/C15H34N2O/c1-4-6-12-17(13-7-5-2)14-9-8-10-16-11-15-18-3/h16H,4-15H2,1-3H3
InChIKeyFBTGUNZREYAAAK-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds14

About N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine

N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine (PubChem CID 62569487) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
PubChem CID62569487
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
SMILESCCCCN(CCCC)CCCCNCCOC
InChIInChI=1S/C15H34N2O/c1-4-6-12-17(13-7-5-2)14-9-8-10-16-11-15-18-3/h16H,4-15H2,1-3H3
InChIKeyFBTGUNZREYAAAK-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 166766087
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-(2-butoxyethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62559728
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine?
The IUPAC name of N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine (CID 62569487) is N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine?
The canonical SMILES for N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine is CCCCN(CCCC)CCCCNCCOC.
What is the InChIKey of N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine?
The InChIKey is FBTGUNZREYAAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-4-6-12-17(13-7-5-2)14-9-8-10-16-11-15-18-3/h16H,4-15H2,1-3H3.
What are the key properties of N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine?
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine is sourced from PubChem (CID 62569487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).