N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium

C10H13N3Y-2 — CID 59953000

IUPACN,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium
SMILESCc1[c-]c(C/N=[C-]/N(C)C)ccn1.[Y]
InChIInChI=1S/C10H13N3.Y/c1-9-6-10(4-5-12-9)7-11-8-13(2)3;/h4-5H,7H2,1-3H3;/q-2;
InChIKeyQZJCHIDFDRCPHQ-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.15
Rot. Bonds3

About N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium

N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium (PubChem CID 59953000) has the molecular formula C10H13N3Y-2 and a molecular weight of 264.14 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium
PubChem CID59953000
Molecular FormulaC10H13N3Y-2
Molecular Weight264.14 g/mol
Exact Mass264.02
IUPAC NameN,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium
SMILESCc1[c-]c(C/N=[C-]/N(C)C)ccn1.[Y]
InChIInChI=1S/C10H13N3.Y/c1-9-6-10(4-5-12-9)7-11-8-13(2)3;/h4-5H,7H2,1-3H3;/q-2;
InChIKeyQZJCHIDFDRCPHQ-UHFFFAOYSA-N
XLogP1.15
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2H-pyrimido[2,1-b]quinazoline
CID 23336415
3H-pyrido[2,1-b]quinazoline
CID 57137694
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
N,N-dimethyl-1-[(6-methyl-2H-pyridin-2-id-3-yl)methylimino]methanamine;yttrium
CID 59953001
2H-pyrimido[1,2-b]isoquinoline
CID 88813953
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
5-Methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium
CID 126755559
N,1,5-trimethylpyridin-2-imine
CID 135258651
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751
2,2-Dimethylpyrido[1,2-a]pyrimidine
CID 142063287

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium?
The IUPAC name of N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium (CID 59953000) is N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium.
What is the SMILES notation for N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium?
The canonical SMILES for N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium is Cc1[c-]c(C/N=[C-]/N(C)C)ccn1.[Y].
What is the InChIKey of N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium?
The InChIKey is QZJCHIDFDRCPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.Y/c1-9-6-10(4-5-12-9)7-11-8-13(2)3;/h4-5H,7H2,1-3H3;/q-2;.
What are the key properties of N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium?
N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium has a molecular weight of 264.14 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-methyl-3H-pyridin-3-id-4-yl)methylimino]methanamine;yttrium is sourced from PubChem (CID 59953000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).