N-[2-(nonylideneamino)ethyl]nonan-1-imine

C20H40N2 — CID 20621534

IUPACN-[2-(nonylideneamino)ethyl]nonan-1-imine
SMILESCCCCCCCC/C=N/CC/N=C/CCCCCCCC
InChIInChI=1S/C20H40N2/c1-3-5-7-9-11-13-15-17-21-19-20-22-18-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3/b21-17+,22-18+
InChIKeyLFFBFHCYOHSXSQ-KSTNYAOJSA-N
MW308.55 g/mol
LogP6.63
Rot. Bonds17

About N-[2-(nonylideneamino)ethyl]nonan-1-imine

N-[2-(nonylideneamino)ethyl]nonan-1-imine (PubChem CID 20621534) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N-[2-(nonylideneamino)ethyl]nonan-1-imine.

Molecular Properties

Compound NameN-[2-(nonylideneamino)ethyl]nonan-1-imine
PubChem CID20621534
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN-[2-(nonylideneamino)ethyl]nonan-1-imine
SMILESCCCCCCCC/C=N/CC/N=C/CCCCCCCC
InChIInChI=1S/C20H40N2/c1-3-5-7-9-11-13-15-17-21-19-20-22-18-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3/b21-17+,22-18+
InChIKeyLFFBFHCYOHSXSQ-KSTNYAOJSA-N
XLogP6.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octyloctan-1-imine
CID 11402193
N-(octylideneamino)octan-1-imine
CID 291806
Isopropyl tetradecyl imine
CID 166594813
n-Tetradecyl hexadecyl imine
CID 166594922
N-[2-(heptan-4-ylideneamino)ethyl]heptan-4-imine
CID 292517
Octanal, azine
CID 9615500
(Z)-N-[(Z)-octylideneamino]octan-1-imine
CID 5793833
1-Diazooctadecane
CID 12689187
N-methyldodecan-1-imine
CID 14496641
(1E)-N-Methyloctan-1-imine
CID 14978514
N-octadecyloctadecan-1-imine
CID 19883782
N,N'-dioctylethane-1,2-diimine
CID 20621539

Frequently Asked Questions

What is the IUPAC name of N-[2-(nonylideneamino)ethyl]nonan-1-imine?
The IUPAC name of N-[2-(nonylideneamino)ethyl]nonan-1-imine (CID 20621534) is N-[2-(nonylideneamino)ethyl]nonan-1-imine.
What is the SMILES notation for N-[2-(nonylideneamino)ethyl]nonan-1-imine?
The canonical SMILES for N-[2-(nonylideneamino)ethyl]nonan-1-imine is CCCCCCCC/C=N/CC/N=C/CCCCCCCC.
What is the InChIKey of N-[2-(nonylideneamino)ethyl]nonan-1-imine?
The InChIKey is LFFBFHCYOHSXSQ-KSTNYAOJSA-N. The full InChI is InChI=1S/C20H40N2/c1-3-5-7-9-11-13-15-17-21-19-20-22-18-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3/b21-17+,22-18+.
What are the key properties of N-[2-(nonylideneamino)ethyl]nonan-1-imine?
N-[2-(nonylideneamino)ethyl]nonan-1-imine has a molecular weight of 308.55 g/mol, XLogP of 6.63, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(nonylideneamino)ethyl]nonan-1-imine is sourced from PubChem (CID 20621534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).