N-dodecyltetradec-1-en-1-imine

C26H51N — CID 142108603

IUPACN-dodecyltetradec-1-en-1-imine
SMILESCCCCCCCCCCCCC=C=NCCCCCCCCCCCC
InChIInChI=1S/C26H51N/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-27-25-23-21-19-17-14-12-10-8-6-4-2/h24H,3-23,25H2,1-2H3
InChIKeyINXFUYPMRCRWGO-UHFFFAOYSA-N
MW377.70 g/mol
LogP9.44
Rot. Bonds22

About N-dodecyltetradec-1-en-1-imine

N-dodecyltetradec-1-en-1-imine (PubChem CID 142108603) has the molecular formula C26H51N and a molecular weight of 377.70 g/mol. Its IUPAC name is N-dodecyltetradec-1-en-1-imine.

Molecular Properties

Compound NameN-dodecyltetradec-1-en-1-imine
PubChem CID142108603
Molecular FormulaC26H51N
Molecular Weight377.70 g/mol
Exact Mass377.40
IUPAC NameN-dodecyltetradec-1-en-1-imine
SMILESCCCCCCCCCCCCC=C=NCCCCCCCCCCCC
InChIInChI=1S/C26H51N/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-27-25-23-21-19-17-14-12-10-8-6-4-2/h24H,3-23,25H2,1-2H3
InChIKeyINXFUYPMRCRWGO-UHFFFAOYSA-N
XLogP9.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.70
LogP ≤ 59.44
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

1-Azacyclotetradeca-13,14-diene
CID 87926473
N-hexylbut-1-en-1-imine
CID 88133285
N-cyclotridecylpent-1-en-1-imine
CID 123463527
(4E)-4-methyl-N-undecylpentadeca-1,4-dien-1-imine
CID 156490337
N-pentyloct-1-en-1-imine
CID 163733808
2-Butyl-1-azacycloundeca-10,11-diene
CID 164159256
4-methyl-N-(7-methylnonyl)hex-1-en-1-imine
CID 166858989
N-[(2R)-octan-2-yl]hexa-1,2-dien-1-imine
CID 173958065
1-Azacyclododeca-11,12-diene
CID 174857129

Frequently Asked Questions

What is the IUPAC name of N-dodecyltetradec-1-en-1-imine?
The IUPAC name of N-dodecyltetradec-1-en-1-imine (CID 142108603) is N-dodecyltetradec-1-en-1-imine.
What is the SMILES notation for N-dodecyltetradec-1-en-1-imine?
The canonical SMILES for N-dodecyltetradec-1-en-1-imine is CCCCCCCCCCCCC=C=NCCCCCCCCCCCC.
What is the InChIKey of N-dodecyltetradec-1-en-1-imine?
The InChIKey is INXFUYPMRCRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-27-25-23-21-19-17-14-12-10-8-6-4-2/h24H,3-23,25H2,1-2H3.
What are the key properties of N-dodecyltetradec-1-en-1-imine?
N-dodecyltetradec-1-en-1-imine has a molecular weight of 377.70 g/mol, XLogP of 9.44, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyltetradec-1-en-1-imine is sourced from PubChem (CID 142108603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).