N'-octan-3-yl-N-phenylmethanediimine

C15H22N2 — CID 121302605

IUPACN'-octan-3-yl-N-phenylmethanediimine
SMILESCCCCCC(CC)N=C=Nc1ccccc1
InChIInChI=1S/C15H22N2/c1-3-5-7-10-14(4-2)16-13-17-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3
InChIKeyJLQNDJXMQKYKNP-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.85
Rot. Bonds7

About N'-octan-3-yl-N-phenylmethanediimine

N'-octan-3-yl-N-phenylmethanediimine (PubChem CID 121302605) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N'-octan-3-yl-N-phenylmethanediimine.

Molecular Properties

Compound NameN'-octan-3-yl-N-phenylmethanediimine
PubChem CID121302605
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN'-octan-3-yl-N-phenylmethanediimine
SMILESCCCCCC(CC)N=C=Nc1ccccc1
InChIInChI=1S/C15H22N2/c1-3-5-7-10-14(4-2)16-13-17-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3
InChIKeyJLQNDJXMQKYKNP-UHFFFAOYSA-N
XLogP4.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.85
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'-pentoxy-N-phenylmethanediimine
CID 174274444
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
octan-3-ylbenzene
CID 519547
1-isothiocyanatoundecylbenzene
CID 118524912
decan-2-yloxybenzene
CID 12838331
pentadecan-3-ylsulfanylbenzene
CID 22237783
N-[[(3R)-octan-3-yl]sulfanylmethyl]aniline
CID 129155876
undecan-6-yloxybenzene
CID 130316504
isocyanatobenzene;1-isocyanatopentane;1-isocyanatopropane
CID 174923559
1-phenyldiazenyloctan-2-ol
CID 175098417
3-nitrosooctane
CID 57157162
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of N'-octan-3-yl-N-phenylmethanediimine?
The IUPAC name of N'-octan-3-yl-N-phenylmethanediimine (CID 121302605) is N'-octan-3-yl-N-phenylmethanediimine.
What is the SMILES notation for N'-octan-3-yl-N-phenylmethanediimine?
The canonical SMILES for N'-octan-3-yl-N-phenylmethanediimine is CCCCCC(CC)N=C=Nc1ccccc1.
What is the InChIKey of N'-octan-3-yl-N-phenylmethanediimine?
The InChIKey is JLQNDJXMQKYKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-7-10-14(4-2)16-13-17-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3.
What are the key properties of N'-octan-3-yl-N-phenylmethanediimine?
N'-octan-3-yl-N-phenylmethanediimine has a molecular weight of 230.36 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octan-3-yl-N-phenylmethanediimine is sourced from PubChem (CID 121302605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).