N-dodecyl-2-ethylhexan-1-imine

C20H41N — CID 19901275

IUPACN-dodecyl-2-ethylhexan-1-imine
SMILESCCCCCCCCCCCC/N=C/C(CC)CCCC
InChIInChI=1S/C20H41N/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h19-20H,4-18H2,1-3H3/b21-19+
InChIKeyBMTHITJOQJYAGO-XUTLUUPISA-N
MW295.55 g/mol
LogP7.19
Rot. Bonds16

About N-dodecyl-2-ethylhexan-1-imine

N-dodecyl-2-ethylhexan-1-imine (PubChem CID 19901275) has the molecular formula C20H41N and a molecular weight of 295.55 g/mol. Its IUPAC name is N-dodecyl-2-ethylhexan-1-imine.

Molecular Properties

Compound NameN-dodecyl-2-ethylhexan-1-imine
PubChem CID19901275
Molecular FormulaC20H41N
Molecular Weight295.55 g/mol
Exact Mass295.32
IUPAC NameN-dodecyl-2-ethylhexan-1-imine
SMILESCCCCCCCCCCCC/N=C/C(CC)CCCC
InChIInChI=1S/C20H41N/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h19-20H,4-18H2,1-3H3/b21-19+
InChIKeyBMTHITJOQJYAGO-XUTLUUPISA-N
XLogP7.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.55
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-ethylhexan-1-imine?
The IUPAC name of N-dodecyl-2-ethylhexan-1-imine (CID 19901275) is N-dodecyl-2-ethylhexan-1-imine.
What is the SMILES notation for N-dodecyl-2-ethylhexan-1-imine?
The canonical SMILES for N-dodecyl-2-ethylhexan-1-imine is CCCCCCCCCCCC/N=C/C(CC)CCCC.
What is the InChIKey of N-dodecyl-2-ethylhexan-1-imine?
The InChIKey is BMTHITJOQJYAGO-XUTLUUPISA-N. The full InChI is InChI=1S/C20H41N/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h19-20H,4-18H2,1-3H3/b21-19+.
What are the key properties of N-dodecyl-2-ethylhexan-1-imine?
N-dodecyl-2-ethylhexan-1-imine has a molecular weight of 295.55 g/mol, XLogP of 7.19, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-ethylhexan-1-imine is sourced from PubChem (CID 19901275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).