N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine

C23H50N2O5 — CID 174152095

IUPACN'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
SMILESCCCCOCCN(CCCCCCNC)CCOCCOCCOCCOCC
InChIInChI=1S/C23H50N2O5/c1-4-6-15-27-16-13-25(12-10-8-7-9-11-24-3)14-17-28-20-21-30-23-22-29-19-18-26-5-2/h24H,4-23H2,1-3H3
InChIKeyMGSMSFAUCJEHER-UHFFFAOYSA-N
MW434.66 g/mol
LogP2.97
Rot. Bonds26

About N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine

N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine (PubChem CID 174152095) has the molecular formula C23H50N2O5 and a molecular weight of 434.66 g/mol. Its IUPAC name is N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
PubChem CID174152095
Molecular FormulaC23H50N2O5
Molecular Weight434.66 g/mol
Exact Mass434.37
IUPAC NameN'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
SMILESCCCCOCCN(CCCCCCNC)CCOCCOCCOCCOCC
InChIInChI=1S/C23H50N2O5/c1-4-6-15-27-16-13-25(12-10-8-7-9-11-24-3)14-17-28-20-21-30-23-22-29-19-18-26-5-2/h24H,4-23H2,1-3H3
InChIKeyMGSMSFAUCJEHER-UHFFFAOYSA-N
XLogP2.97
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.66
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
CID 174152104
N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
CID 174152090
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297413
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297390
2-[2-[2-[2-[2-[3-[dodecyl-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297407
1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine?
The IUPAC name of N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine (CID 174152095) is N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine.
What is the SMILES notation for N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine?
The canonical SMILES for N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine is CCCCOCCN(CCCCCCNC)CCOCCOCCOCCOCC.
What is the InChIKey of N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine?
The InChIKey is MGSMSFAUCJEHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O5/c1-4-6-15-27-16-13-25(12-10-8-7-9-11-24-3)14-17-28-20-21-30-23-22-29-19-18-26-5-2/h24H,4-23H2,1-3H3.
What are the key properties of N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine?
N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine has a molecular weight of 434.66 g/mol, XLogP of 2.97, 26 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine is sourced from PubChem (CID 174152095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).