N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine

C13H15N3 — CID 91604553

IUPACN-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine
SMILESC=Nc1cc2c(cc1N=C)C1CNCC2C1
InChIInChI=1S/C13H15N3/c1-14-12-4-10-8-3-9(7-16-6-8)11(10)5-13(12)15-2/h4-5,8-9,16H,1-3,6-7H2
InChIKeyDIJUVWFDPHNARO-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.52
Rot. Bonds2

About N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine

N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine (PubChem CID 91604553) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine.

Molecular Properties

Compound NameN-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine
PubChem CID91604553
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine
SMILESC=Nc1cc2c(cc1N=C)C1CNCC2C1
InChIInChI=1S/C13H15N3/c1-14-12-4-10-8-3-9(7-16-6-8)11(10)5-13(12)15-2/h4-5,8-9,16H,1-3,6-7H2
InChIKeyDIJUVWFDPHNARO-UHFFFAOYSA-N
XLogP2.52
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 10198642
(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 11608185
5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
CID 58034287
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;hydrobromide
CID 75164726
(1S,12R)-6,7-dideuterio-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 164669962
4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 87994494
oxalic acid;(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 46181479
5-oxido-8,14-diaza-5-azoniatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 154703516
(1S,5S)-3-azabicyclo[3.1.1]heptan-6-one
CID 98137974
2,3-dihydroxybutanedioic acid;(1R,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 53486179
3-methyl-5-(2,4,5-trimethylphenyl)piperidine
CID 115375246

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine?
The IUPAC name of N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine (CID 91604553) is N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine.
What is the SMILES notation for N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine?
The canonical SMILES for N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine is C=Nc1cc2c(cc1N=C)C1CNCC2C1.
What is the InChIKey of N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine?
The InChIKey is DIJUVWFDPHNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-14-12-4-10-8-3-9(7-16-6-8)11(10)5-13(12)15-2/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine?
N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine has a molecular weight of 213.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine is sourced from PubChem (CID 91604553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).