1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine

C13H25N3 — CID 146589714

IUPAC1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine
SMILESC/N=C(/C1=C(N)C(C)(C)CN(C)C1)C(C)C
InChIInChI=1S/C13H25N3/c1-9(2)11(15-5)10-7-16(6)8-13(3,4)12(10)14/h9H,7-8,14H2,1-6H3/b15-11+
InChIKeyIAIKXZYSZGQLCH-RVDMUPIBSA-N
MW223.36 g/mol
LogP1.90
Rot. Bonds2

About 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine

1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine (PubChem CID 146589714) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine
PubChem CID146589714
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine
SMILESC/N=C(/C1=C(N)C(C)(C)CN(C)C1)C(C)C
InChIInChI=1S/C13H25N3/c1-9(2)11(15-5)10-7-16(6)8-13(3,4)12(10)14/h9H,7-8,14H2,1-6H3/b15-11+
InChIKeyIAIKXZYSZGQLCH-RVDMUPIBSA-N
XLogP1.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine?
The IUPAC name of 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine (CID 146589714) is 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine.
What is the SMILES notation for 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine?
The canonical SMILES for 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine is C/N=C(/C1=C(N)C(C)(C)CN(C)C1)C(C)C.
What is the InChIKey of 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine?
The InChIKey is IAIKXZYSZGQLCH-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)11(15-5)10-7-16(6)8-13(3,4)12(10)14/h9H,7-8,14H2,1-6H3/b15-11+.
What are the key properties of 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine?
1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine has a molecular weight of 223.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine is sourced from PubChem (CID 146589714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).