N,N'-dipropylmethanediimine

C7H14N2 — CID 12725951

IUPACN,N'-dipropylmethanediimine
SMILESCCCN=C=NCCC
InChIInChI=1S/C7H14N2/c1-3-5-8-7-9-6-4-2/h3-6H2,1-2H3
InChIKeyMALMHIVBMJBNGS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.98
Rot. Bonds4

About N,N'-dipropylmethanediimine

N,N'-dipropylmethanediimine (PubChem CID 12725951) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N'-dipropylmethanediimine.

Molecular Properties

Compound NameN,N'-dipropylmethanediimine
PubChem CID12725951
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N'-dipropylmethanediimine
SMILESCCCN=C=NCCC
InChIInChI=1S/C7H14N2/c1-3-5-8-7-9-6-4-2/h3-6H2,1-2H3
InChIKeyMALMHIVBMJBNGS-UHFFFAOYSA-N
XLogP1.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-pentyl-N-propylmethanediimine
CID 88904849
N-methyl-N'-propylmethanediimine
CID 18695318
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
N-(propyliminomethylideneamino)methanamine
CID 176541672
N,N'-dioctadecylmethanediimine
CID 10918627
N-(propyliminomethylidene)methanesulfonamide
CID 119096603
ethene;N-methyl-N-(propyliminomethylideneamino)methanamine
CID 174595552
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
N-propylhexa-1,3-dien-1-imine
CID 173251675

Frequently Asked Questions

What is the IUPAC name of N,N'-dipropylmethanediimine?
The IUPAC name of N,N'-dipropylmethanediimine (CID 12725951) is N,N'-dipropylmethanediimine.
What is the SMILES notation for N,N'-dipropylmethanediimine?
The canonical SMILES for N,N'-dipropylmethanediimine is CCCN=C=NCCC.
What is the InChIKey of N,N'-dipropylmethanediimine?
The InChIKey is MALMHIVBMJBNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-8-7-9-6-4-2/h3-6H2,1-2H3.
What are the key properties of N,N'-dipropylmethanediimine?
N,N'-dipropylmethanediimine has a molecular weight of 126.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropylmethanediimine is sourced from PubChem (CID 12725951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).