3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine

C12H23N3 — CID 145150228

IUPAC3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine
SMILESC/N=C(/C1=C(N)C(C)(C)CNC1)C(C)C
InChIInChI=1S/C12H23N3/c1-8(2)10(14-5)9-6-15-7-12(3,4)11(9)13/h8,15H,6-7,13H2,1-5H3/b14-10+
InChIKeyADPZOJSLDZTOEE-GXDHUFHOSA-N
MW209.34 g/mol
LogP1.56
Rot. Bonds2

About 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine

3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine (PubChem CID 145150228) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine
PubChem CID145150228
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine
SMILESC/N=C(/C1=C(N)C(C)(C)CNC1)C(C)C
InChIInChI=1S/C12H23N3/c1-8(2)10(14-5)9-6-15-7-12(3,4)11(9)13/h8,15H,6-7,13H2,1-5H3/b14-10+
InChIKeyADPZOJSLDZTOEE-GXDHUFHOSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine?
The IUPAC name of 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine (CID 145150228) is 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine.
What is the SMILES notation for 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine?
The canonical SMILES for 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine is C/N=C(/C1=C(N)C(C)(C)CNC1)C(C)C.
What is the InChIKey of 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine?
The InChIKey is ADPZOJSLDZTOEE-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H23N3/c1-8(2)10(14-5)9-6-15-7-12(3,4)11(9)13/h8,15H,6-7,13H2,1-5H3/b14-10+.
What are the key properties of 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine?
3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine has a molecular weight of 209.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine is sourced from PubChem (CID 145150228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).