N'-pentoxy-N-phenylmethanediimine

C12H16N2O — CID 174274444

IUPACN'-pentoxy-N-phenylmethanediimine
SMILESCCCCCON=C=Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-3-7-10-15-14-11-13-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3
InChIKeyYTWSIMZEKLLHKP-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.61
Rot. Bonds6

About N'-pentoxy-N-phenylmethanediimine

N'-pentoxy-N-phenylmethanediimine (PubChem CID 174274444) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-pentoxy-N-phenylmethanediimine.

Molecular Properties

Compound NameN'-pentoxy-N-phenylmethanediimine
PubChem CID174274444
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-pentoxy-N-phenylmethanediimine
SMILESCCCCCON=C=Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-3-7-10-15-14-11-13-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3
InChIKeyYTWSIMZEKLLHKP-UHFFFAOYSA-N
XLogP3.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octoxy(phenyl)diazene
CID 19023895
N'-octan-3-yl-N-phenylmethanediimine
CID 121302605
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
N-pentoxybenzenecarboximidoyl cyanide
CID 175114895
pentoxybenzene;undecane
CID 174778179
fluorobenzene;1-hexoxyhexane
CID 174664464
2-pentoxyethylbenzene
CID 3022447
2-hydroxybenzoic acid;octyl nitrite
CID 160599086
isocyanatobenzene;1-isocyanatopentane;1-isocyanatopropane
CID 174923559

Frequently Asked Questions

What is the IUPAC name of N'-pentoxy-N-phenylmethanediimine?
The IUPAC name of N'-pentoxy-N-phenylmethanediimine (CID 174274444) is N'-pentoxy-N-phenylmethanediimine.
What is the SMILES notation for N'-pentoxy-N-phenylmethanediimine?
The canonical SMILES for N'-pentoxy-N-phenylmethanediimine is CCCCCON=C=Nc1ccccc1.
What is the InChIKey of N'-pentoxy-N-phenylmethanediimine?
The InChIKey is YTWSIMZEKLLHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-3-7-10-15-14-11-13-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3.
What are the key properties of N'-pentoxy-N-phenylmethanediimine?
N'-pentoxy-N-phenylmethanediimine has a molecular weight of 204.27 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentoxy-N-phenylmethanediimine is sourced from PubChem (CID 174274444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).