N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine

C14H32N2O — CID 62559268

IUPACN-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCCCOCCNCCN(C)CC(C)CC
InChIInChI=1S/C14H32N2O/c1-5-7-11-17-12-9-15-8-10-16(4)13-14(3)6-2/h14-15H,5-13H2,1-4H3
InChIKeyBRDOPAVHBODYOI-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds12

About N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine

N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 62559268) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
PubChem CID62559268
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCCCOCCNCCN(C)CC(C)CC
InChIInChI=1S/C14H32N2O/c1-5-7-11-17-12-9-15-8-10-16(4)13-14(3)6-2/h14-15H,5-13H2,1-4H3
InChIKeyBRDOPAVHBODYOI-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-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

2-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 164907050
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62266935
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
N-(2-butoxyethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62559728
N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
CID 170062056
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
2-[2-[methyl(2-methylbutyl)amino]ethoxy]ethanol
CID 61070692
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine (CID 62559268) is N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine is CCCCOCCNCCN(C)CC(C)CC.
What is the InChIKey of N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is BRDOPAVHBODYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-7-11-17-12-9-15-8-10-16(4)13-14(3)6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine?
N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62559268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).