2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine

C16H36N2O2 — CID 82965560

IUPAC2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O2/c1-4-7-8-9-10-16(15-17)18(11-13-19-5-2)12-14-20-6-3/h16H,4-15,17H2,1-3H3
InChIKeyQSIKCQWPMKSMRS-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.66
Rot. Bonds15

About 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine

2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine (PubChem CID 82965560) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
PubChem CID82965560
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O2/c1-4-7-8-9-10-16(15-17)18(11-13-19-5-2)12-14-20-6-3/h16H,4-15,17H2,1-3H3
InChIKeyQSIKCQWPMKSMRS-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-bis(2-ethoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 82965661
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-N-(2-ethoxyethyl)-2-N-ethyl-4-ethylsulfanylbutane-1,2-diamine
CID 116504124
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine (CID 82965560) is 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine is CCCCCCC(CN)N(CCOCC)CCOCC.
What is the InChIKey of 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine?
The InChIKey is QSIKCQWPMKSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-4-7-8-9-10-16(15-17)18(11-13-19-5-2)12-14-20-6-3/h16H,4-15,17H2,1-3H3.
What are the key properties of 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine?
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 2.66, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine is sourced from PubChem (CID 82965560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).