2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine

C16H36N2 — CID 63472156

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)CC(CC)CC
InChIInChI=1S/C16H36N2/c1-5-9-10-11-12-16(13-17)18(8-4)14-15(6-2)7-3/h15-16H,5-14,17H2,1-4H3
InChIKeyKFEIKFIZBWUDBV-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.04
Rot. Bonds12

About 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine (PubChem CID 63472156) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
PubChem CID63472156
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)CC(CC)CC
InChIInChI=1S/C16H36N2/c1-5-9-10-11-12-16(13-17)18(8-4)14-15(6-2)7-3/h15-16H,5-14,17H2,1-4H3
InChIKeyKFEIKFIZBWUDBV-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
CID 43274343
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
N,N-diethyltridecan-4-amine
CID 159822270

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine (CID 63472156) is 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine is CCCCCCC(CN)N(CC)CC(CC)CC.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine?
The InChIKey is KFEIKFIZBWUDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-5-9-10-11-12-16(13-17)18(8-4)14-15(6-2)7-3/h15-16H,5-14,17H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine is sourced from PubChem (CID 63472156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).