N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine

C13H21N3O2 — CID 175450514

IUPACN-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine
SMILESCOC(OC)C(=NNc1ccc(C)cn1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)12(13(17-4)18-5)16-15-11-7-6-10(3)8-14-11/h6-9,13H,1-5H3,(H,14,15)
InChIKeyYKTCBBANQGXQPK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds6

About N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine

N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine (PubChem CID 175450514) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine
PubChem CID175450514
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine
SMILESCOC(OC)C(=NNc1ccc(C)cn1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)12(13(17-4)18-5)16-15-11-7-6-10(3)8-14-11/h6-9,13H,1-5H3,(H,14,15)
InChIKeyYKTCBBANQGXQPK-UHFFFAOYSA-N
XLogP2.43
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine?
The IUPAC name of N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine (CID 175450514) is N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine?
The canonical SMILES for N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine is COC(OC)C(=NNc1ccc(C)cn1)C(C)C.
What is the InChIKey of N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine?
The InChIKey is YKTCBBANQGXQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)12(13(17-4)18-5)16-15-11-7-6-10(3)8-14-11/h6-9,13H,1-5H3,(H,14,15).
What are the key properties of N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine?
N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine is sourced from PubChem (CID 175450514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).