N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine

C13H30N2O — CID 107815808

IUPACN'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
SMILESCCCCC(CC)CNCCC(CN)OC
InChIInChI=1S/C13H30N2O/c1-4-6-7-12(5-2)11-15-9-8-13(10-14)16-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyDFLPQMXFODNLDN-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.16
Rot. Bonds11

About N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine

N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine (PubChem CID 107815808) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
PubChem CID107815808
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
SMILESCCCCC(CC)CNCCC(CN)OC
InChIInChI=1S/C13H30N2O/c1-4-6-7-12(5-2)11-15-9-8-13(10-14)16-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyDFLPQMXFODNLDN-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-ethylhexyl)-2-methoxybutane-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

3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
ethyl 4-(2-ethylhexylamino)butanoate
CID 60683102
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
(2S)-2-ethylhexan-1-amine
CID 6999997

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine?
The IUPAC name of N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine (CID 107815808) is N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine.
What is the SMILES notation for N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine?
The canonical SMILES for N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine is CCCCC(CC)CNCCC(CN)OC.
What is the InChIKey of N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine?
The InChIKey is DFLPQMXFODNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-4-6-7-12(5-2)11-15-9-8-13(10-14)16-3/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine?
N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.16, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine is sourced from PubChem (CID 107815808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).