(5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine

C11H16N2 — CID 123735616

IUPAC(5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine
SMILES[H]/N=C/N1CC=CC=CC(=C)CCC1
InChIInChI=1S/C11H16N2/c1-11-6-3-2-4-8-13(10-12)9-5-7-11/h2-4,6,10,12H,1,5,7-9H2/b4-2?,6-3?,12-10+
InChIKeySJRIKJPRFXXMTC-KJJIYCDUSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds1

About (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine

(5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine (PubChem CID 123735616) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine.

Molecular Properties

Compound Name(5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine
PubChem CID123735616
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine
SMILES[H]/N=C/N1CC=CC=CC(=C)CCC1
InChIInChI=1S/C11H16N2/c1-11-6-3-2-4-8-13(10-12)9-5-7-11/h2-4,6,10,12H,1,5,7-9H2/b4-2?,6-3?,12-10+
InChIKeySJRIKJPRFXXMTC-KJJIYCDUSA-N
XLogP2.36
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine
CID 145111049
1,3,4,5-Tetrahydroisoindole-2-carboximidamide
CID 145111194
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine
CID 145111050

Frequently Asked Questions

What is the IUPAC name of (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine?
The IUPAC name of (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine (CID 123735616) is (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine.
What is the SMILES notation for (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine?
The canonical SMILES for (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine is [H]/N=C/N1CC=CC=CC(=C)CCC1.
What is the InChIKey of (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine?
The InChIKey is SJRIKJPRFXXMTC-KJJIYCDUSA-N. The full InChI is InChI=1S/C11H16N2/c1-11-6-3-2-4-8-13(10-12)9-5-7-11/h2-4,6,10,12H,1,5,7-9H2/b4-2?,6-3?,12-10+.
What are the key properties of (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine?
(5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine is sourced from PubChem (CID 123735616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).