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

C13H26N2O — CID 62434695

IUPACN,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
SMILESCOCCN(CCCCNC1CC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-16-11-10-15(13-6-7-13)9-3-2-8-14-12-4-5-12/h12-14H,2-11H2,1H3
InChIKeyIJOAUZWPZIYJTP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds10

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

N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine (PubChem CID 62434695) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
PubChem CID62434695
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
SMILESCOCCN(CCCCNC1CC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-16-11-10-15(13-6-7-13)9-3-2-8-14-12-4-5-12/h12-14H,2-11H2,1H3
InChIKeyIJOAUZWPZIYJTP-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62553966
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine?
The IUPAC name of N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine (CID 62434695) is N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine?
The canonical SMILES for N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine is COCCN(CCCCNC1CC1)C1CC1.
What is the InChIKey of N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine?
The InChIKey is IJOAUZWPZIYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-11-10-15(13-6-7-13)9-3-2-8-14-12-4-5-12/h12-14H,2-11H2,1H3.
What are the key properties of N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine?
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine is sourced from PubChem (CID 62434695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).