3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium

C14H19N2Y- — CID 58852373

IUPAC3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium
SMILESCN(C)C1CC=C(c2c[c-]cc(N)c2)CC1.[Y]
InChIInChI=1S/C14H19N2.Y/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12;/h4-6,10,14H,7-9,15H2,1-2H3;/q-1;
InChIKeyMJRGYZZAWLINDF-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.56
Rot. Bonds2

About 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium

3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium (PubChem CID 58852373) has the molecular formula C14H19N2Y- and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium.

Molecular Properties

Compound Name3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium
PubChem CID58852373
Molecular FormulaC14H19N2Y-
Molecular Weight304.23 g/mol
Exact Mass304.06
IUPAC Name3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium
SMILESCN(C)C1CC=C(c2c[c-]cc(N)c2)CC1.[Y]
InChIInChI=1S/C14H19N2.Y/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12;/h4-6,10,14H,7-9,15H2,1-2H3;/q-1;
InChIKeyMJRGYZZAWLINDF-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium?
The IUPAC name of 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium (CID 58852373) is 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium.
What is the SMILES notation for 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium?
The canonical SMILES for 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium is CN(C)C1CC=C(c2c[c-]cc(N)c2)CC1.[Y].
What is the InChIKey of 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium?
The InChIKey is MJRGYZZAWLINDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2.Y/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12;/h4-6,10,14H,7-9,15H2,1-2H3;/q-1;.
What are the key properties of 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium?
3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium has a molecular weight of 304.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium is sourced from PubChem (CID 58852373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).