N'-pentyl-N-propylmethanediimine

C9H18N2 — CID 88904849

IUPACN'-pentyl-N-propylmethanediimine
SMILESCCCCCN=C=NCCC
InChIInChI=1S/C9H18N2/c1-3-5-6-8-11-9-10-7-4-2/h3-8H2,1-2H3
InChIKeyLYVOXQBNJWKALQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.76
Rot. Bonds6

About N'-pentyl-N-propylmethanediimine

N'-pentyl-N-propylmethanediimine (PubChem CID 88904849) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-pentyl-N-propylmethanediimine.

Molecular Properties

Compound NameN'-pentyl-N-propylmethanediimine
PubChem CID88904849
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-pentyl-N-propylmethanediimine
SMILESCCCCCN=C=NCCC
InChIInChI=1S/C9H18N2/c1-3-5-6-8-11-9-10-7-4-2/h3-8H2,1-2H3
InChIKeyLYVOXQBNJWKALQ-UHFFFAOYSA-N
XLogP2.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.76
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,N'-dioctadecylmethanediimine
CID 10918627
N,N'-dipropylmethanediimine
CID 12725951
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
1-isothiocyanatopentane;λ2-stannane
CID 173286662
1-isothiocyanatotetracosane
CID 175827875
N-methyl-N'-propylmethanediimine
CID 18695318
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
N-(propyliminomethylideneamino)methanamine
CID 176541672
1-isocyanatodotriacontane
CID 87857577
1-isoselenocyanatoheptane
CID 172734462
sodium;hydride;1-isothiocyanatododecane
CID 173360383

Frequently Asked Questions

What is the IUPAC name of N'-pentyl-N-propylmethanediimine?
The IUPAC name of N'-pentyl-N-propylmethanediimine (CID 88904849) is N'-pentyl-N-propylmethanediimine.
What is the SMILES notation for N'-pentyl-N-propylmethanediimine?
The canonical SMILES for N'-pentyl-N-propylmethanediimine is CCCCCN=C=NCCC.
What is the InChIKey of N'-pentyl-N-propylmethanediimine?
The InChIKey is LYVOXQBNJWKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-6-8-11-9-10-7-4-2/h3-8H2,1-2H3.
What are the key properties of N'-pentyl-N-propylmethanediimine?
N'-pentyl-N-propylmethanediimine has a molecular weight of 154.26 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentyl-N-propylmethanediimine is sourced from PubChem (CID 88904849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).