benzene;N-dodecylmethanimine

C19H33N — CID 174420920

IUPACbenzene;N-dodecylmethanimine
SMILESC=NCCCCCCCCCCCC.c1ccccc1
InChIInChI=1S/C13H27N.C6H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;1-2-4-6-5-3-1/h2-13H2,1H3;1-6H
InChIKeyNTJNCDHRMIOHRV-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.29
Rot. Bonds11

About benzene;N-dodecylmethanimine

benzene;N-dodecylmethanimine (PubChem CID 174420920) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is benzene;N-dodecylmethanimine.

Molecular Properties

Compound Namebenzene;N-dodecylmethanimine
PubChem CID174420920
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Namebenzene;N-dodecylmethanimine
SMILESC=NCCCCCCCCCCCC.c1ccccc1
InChIInChI=1S/C13H27N.C6H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;1-2-4-6-5-3-1/h2-13H2,1H3;1-6H
InChIKeyNTJNCDHRMIOHRV-UHFFFAOYSA-N
XLogP6.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.29
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

benzene;decane;methoxymethane
CID 90906941
ethene;undecane
CID 161157037
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of benzene;N-dodecylmethanimine?
The IUPAC name of benzene;N-dodecylmethanimine (CID 174420920) is benzene;N-dodecylmethanimine.
What is the SMILES notation for benzene;N-dodecylmethanimine?
The canonical SMILES for benzene;N-dodecylmethanimine is C=NCCCCCCCCCCCC.c1ccccc1.
What is the InChIKey of benzene;N-dodecylmethanimine?
The InChIKey is NTJNCDHRMIOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C6H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;1-2-4-6-5-3-1/h2-13H2,1H3;1-6H.
What are the key properties of benzene;N-dodecylmethanimine?
benzene;N-dodecylmethanimine has a molecular weight of 275.48 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-dodecylmethanimine is sourced from PubChem (CID 174420920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).