2-ethyl-N-(2-ethylhexyl)butan-1-imine

C14H29N — CID 20526223

IUPAC2-ethyl-N-(2-ethylhexyl)butan-1-imine
SMILESCCCCC(CC)C/N=C/C(CC)CC
InChIInChI=1S/C14H29N/c1-5-9-10-14(8-4)12-15-11-13(6-2)7-3/h11,13-14H,5-10,12H2,1-4H3/b15-11+
InChIKeyLQQQYEKBNMFILZ-RVDMUPIBSA-N
MW211.39 g/mol
LogP4.71
Rot. Bonds9

About 2-ethyl-N-(2-ethylhexyl)butan-1-imine

2-ethyl-N-(2-ethylhexyl)butan-1-imine (PubChem CID 20526223) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)butan-1-imine.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)butan-1-imine
PubChem CID20526223
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-ethyl-N-(2-ethylhexyl)butan-1-imine
SMILESCCCCC(CC)C/N=C/C(CC)CC
InChIInChI=1S/C14H29N/c1-5-9-10-14(8-4)12-15-11-13(6-2)7-3/h11,13-14H,5-10,12H2,1-4H3/b15-11+
InChIKeyLQQQYEKBNMFILZ-RVDMUPIBSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)butan-1-imine?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)butan-1-imine (CID 20526223) is 2-ethyl-N-(2-ethylhexyl)butan-1-imine.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)butan-1-imine?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)butan-1-imine is CCCCC(CC)C/N=C/C(CC)CC.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)butan-1-imine?
The InChIKey is LQQQYEKBNMFILZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H29N/c1-5-9-10-14(8-4)12-15-11-13(6-2)7-3/h11,13-14H,5-10,12H2,1-4H3/b15-11+.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)butan-1-imine?
2-ethyl-N-(2-ethylhexyl)butan-1-imine has a molecular weight of 211.39 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)butan-1-imine is sourced from PubChem (CID 20526223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).