N-(7-bicyclo[4.2.0]octanyl)methanimine

C9H15N — CID 163984750

IUPACN-(7-bicyclo[4.2.0]octanyl)methanimine
SMILESC=NC1CC2CCCCC21
InChIInChI=1S/C9H15N/c1-10-9-6-7-4-2-3-5-8(7)9/h7-9H,1-6H2
InChIKeyTVGXUWQJACQEMU-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.27
Rot. Bonds1

About N-(7-bicyclo[4.2.0]octanyl)methanimine

N-(7-bicyclo[4.2.0]octanyl)methanimine (PubChem CID 163984750) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octanyl)methanimine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octanyl)methanimine
PubChem CID163984750
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(7-bicyclo[4.2.0]octanyl)methanimine
SMILESC=NC1CC2CCCCC21
InChIInChI=1S/C9H15N/c1-10-9-6-7-4-2-3-5-8(7)9/h7-9H,1-6H2
InChIKeyTVGXUWQJACQEMU-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.27
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

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CID 135252320
(1R,6S,7R)-bicyclo[4.2.0]octan-7-amine
CID 124833630
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125
tricyclo[4.4.0.02,8]decane
CID 585864
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
9-chloro-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;ethane
CID 143318730
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
CID 138987457

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octanyl)methanimine?
The IUPAC name of N-(7-bicyclo[4.2.0]octanyl)methanimine (CID 163984750) is N-(7-bicyclo[4.2.0]octanyl)methanimine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octanyl)methanimine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octanyl)methanimine is C=NC1CC2CCCCC21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octanyl)methanimine?
The InChIKey is TVGXUWQJACQEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10-9-6-7-4-2-3-5-8(7)9/h7-9H,1-6H2.
What are the key properties of N-(7-bicyclo[4.2.0]octanyl)methanimine?
N-(7-bicyclo[4.2.0]octanyl)methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octanyl)methanimine is sourced from PubChem (CID 163984750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).