3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine

C13H30N2O — CID 62437184

IUPAC3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCN(CCOC)C(C)CCNCC(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(9-10-16-5)13(4)7-8-14-11-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNUYIFEHIIMWJIX-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds10

About 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine

3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 62437184) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID62437184
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCN(CCOC)C(C)CCNCC(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(9-10-16-5)13(4)7-8-14-11-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNUYIFEHIIMWJIX-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-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',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
2-N-(2-methoxyethyl)-1-N-(3-methylbutyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569208
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63692329
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
4-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine (CID 62437184) is 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine is CCN(CCOC)C(C)CCNCC(C)C.
What is the InChIKey of 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is NUYIFEHIIMWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-15(9-10-16-5)13(4)7-8-14-11-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 62437184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).