N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium

C10H12N2Y-2 — CID 59952998

IUPACN,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium
SMILESCN(C)/[C-]=N/Cc1[c-]cccc1.[Y]
InChIInChI=1S/C10H12N2.Y/c1-12(2)9-11-8-10-6-4-3-5-7-10;/h3-6H,8H2,1-2H3;/q-2;
InChIKeyKYBHPXCYNBEQTP-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.45
Rot. Bonds3

About N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium

N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium (PubChem CID 59952998) has the molecular formula C10H12N2Y-2 and a molecular weight of 249.13 g/mol. Its IUPAC name is N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium.

Molecular Properties

Compound NameN,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium
PubChem CID59952998
Molecular FormulaC10H12N2Y-2
Molecular Weight249.13 g/mol
Exact Mass249.01
IUPAC NameN,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium
SMILESCN(C)/[C-]=N/Cc1[c-]cccc1.[Y]
InChIInChI=1S/C10H12N2.Y/c1-12(2)9-11-8-10-6-4-3-5-7-10;/h3-6H,8H2,1-2H3;/q-2;
InChIKeyKYBHPXCYNBEQTP-UHFFFAOYSA-N
XLogP1.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methanidylidene-3-methylpent-3-enyl)imino-N,N-dimethylmethanamine;bis(yttrium)
CID 59952992
N,N-dimethyl-1-[(6-methyl-2H-pyridin-2-id-3-yl)methylimino]methanamine;yttrium
CID 59953001
3,8-Dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine
CID 90849756
7-Methylpyrido[1,2-a]pyrimidine
CID 143483234
3,7-dimethyl-2H-pyrido[1,2-a]pyrimidine
CID 143545409
N,N-dimethyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 177046902

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium?
The IUPAC name of N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium (CID 59952998) is N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium.
What is the SMILES notation for N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium?
The canonical SMILES for N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium is CN(C)/[C-]=N/Cc1[c-]cccc1.[Y].
What is the InChIKey of N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium?
The InChIKey is KYBHPXCYNBEQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.Y/c1-12(2)9-11-8-10-6-4-3-5-7-10;/h3-6H,8H2,1-2H3;/q-2;.
What are the key properties of N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium?
N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium has a molecular weight of 249.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium is sourced from PubChem (CID 59952998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).