N-propyl-3,4-dihydroazepin-2-imine

C9H14N2 — CID 123326575

IUPACN-propyl-3,4-dihydroazepin-2-imine
SMILESCCC/N=C1\CCC=CC=N1
InChIInChI=1S/C9H14N2/c1-2-7-10-9-6-4-3-5-8-11-9/h3,5,8H,2,4,6-7H2,1H3/b10-9+
InChIKeyRJCMJSWRWFNPRT-MDZDMXLPSA-N
MW150.22 g/mol
LogP2.22
Rot. Bonds2

About N-propyl-3,4-dihydroazepin-2-imine

N-propyl-3,4-dihydroazepin-2-imine (PubChem CID 123326575) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-propyl-3,4-dihydroazepin-2-imine.

Molecular Properties

Compound NameN-propyl-3,4-dihydroazepin-2-imine
PubChem CID123326575
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-propyl-3,4-dihydroazepin-2-imine
SMILESCCC/N=C1\CCC=CC=N1
InChIInChI=1S/C9H14N2/c1-2-7-10-9-6-4-3-5-8-11-9/h3,5,8H,2,4,6-7H2,1H3/b10-9+
InChIKeyRJCMJSWRWFNPRT-MDZDMXLPSA-N
XLogP2.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-3-enyl)-3,4-dihydroazepin-2-imine
CID 123185222
(3E,6Z)-N-propyl-5H-azocin-2-imine
CID 123511104
7-propyl-4H-1,3-diazepine
CID 126714167
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide
CID 142962297
2,4,4-Trimethyl-1,3-diazepine
CID 143263086
N'-methyl-4H-azepine-3-carboximidamide
CID 153397424
5-ethyl-2-methyl-4H-1,3-diazepine
CID 155445629
4-methyl-2-propan-2-yl-4H-1,3-diazepine
CID 156035052
2,4-dimethyl-4H-1,3-diazepine;ethane
CID 176556944

Frequently Asked Questions

What is the IUPAC name of N-propyl-3,4-dihydroazepin-2-imine?
The IUPAC name of N-propyl-3,4-dihydroazepin-2-imine (CID 123326575) is N-propyl-3,4-dihydroazepin-2-imine.
What is the SMILES notation for N-propyl-3,4-dihydroazepin-2-imine?
The canonical SMILES for N-propyl-3,4-dihydroazepin-2-imine is CCC/N=C1\CCC=CC=N1.
What is the InChIKey of N-propyl-3,4-dihydroazepin-2-imine?
The InChIKey is RJCMJSWRWFNPRT-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-10-9-6-4-3-5-8-11-9/h3,5,8H,2,4,6-7H2,1H3/b10-9+.
What are the key properties of N-propyl-3,4-dihydroazepin-2-imine?
N-propyl-3,4-dihydroazepin-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3,4-dihydroazepin-2-imine is sourced from PubChem (CID 123326575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).