N-dodecan-6-ylundecan-6-imine

C23H47N — CID 134421092

IUPACN-dodecan-6-ylundecan-6-imine
SMILESCCCCCCC(CCCCC)N=C(CCCCC)CCCCC
InChIInChI=1S/C23H47N/c1-5-9-13-17-21-23(20-16-12-8-4)24-22(18-14-10-6-2)19-15-11-7-3/h23H,5-21H2,1-4H3
InChIKeyUIQNARCGBCCMIT-UHFFFAOYSA-N
MW337.64 g/mol
LogP8.51
Rot. Bonds18

About N-dodecan-6-ylundecan-6-imine

N-dodecan-6-ylundecan-6-imine (PubChem CID 134421092) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is N-dodecan-6-ylundecan-6-imine.

Molecular Properties

Compound NameN-dodecan-6-ylundecan-6-imine
PubChem CID134421092
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC NameN-dodecan-6-ylundecan-6-imine
SMILESCCCCCCC(CCCCC)N=C(CCCCC)CCCCC
InChIInChI=1S/C23H47N/c1-5-9-13-17-21-23(20-16-12-8-4)24-22(18-14-10-6-2)19-15-11-7-3/h23H,5-21H2,1-4H3
InChIKeyUIQNARCGBCCMIT-UHFFFAOYSA-N
XLogP8.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 58.51
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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Related Compounds

2-decan-5-ylguanidine
CID 146527866
1-(diaminomethylidene)-2-dodecan-5-ylguanidine
CID 57270136
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CID 88669606
1-chlorohexadecan-1-ol
CID 87967130
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
4-nitrosooctadecane
CID 122423399
ditetracosan-12-yl hydrogen phosphite
CID 23465328
heptadec-1-en-3-ol
CID 11858939
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400

Frequently Asked Questions

What is the IUPAC name of N-dodecan-6-ylundecan-6-imine?
The IUPAC name of N-dodecan-6-ylundecan-6-imine (CID 134421092) is N-dodecan-6-ylundecan-6-imine.
What is the SMILES notation for N-dodecan-6-ylundecan-6-imine?
The canonical SMILES for N-dodecan-6-ylundecan-6-imine is CCCCCCC(CCCCC)N=C(CCCCC)CCCCC.
What is the InChIKey of N-dodecan-6-ylundecan-6-imine?
The InChIKey is UIQNARCGBCCMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-5-9-13-17-21-23(20-16-12-8-4)24-22(18-14-10-6-2)19-15-11-7-3/h23H,5-21H2,1-4H3.
What are the key properties of N-dodecan-6-ylundecan-6-imine?
N-dodecan-6-ylundecan-6-imine has a molecular weight of 337.64 g/mol, XLogP of 8.51, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecan-6-ylundecan-6-imine is sourced from PubChem (CID 134421092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).