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

C10H19N3 — CID 134172196

IUPAC5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/N=C(/C1=C(N)CCNC1)C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)10(12-3)8-6-13-5-4-9(8)11/h7,13H,4-6,11H2,1-3H3/b12-10+
InChIKeyLHTZUZCXQVFOBH-ZRDIBKRKSA-N
MW181.28 g/mol
LogP0.92
Rot. Bonds2

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

5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 134172196) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID134172196
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/N=C(/C1=C(N)CCNC1)C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)10(12-3)8-6-13-5-4-9(8)11/h7,13H,4-6,11H2,1-3H3/b12-10+
InChIKeyLHTZUZCXQVFOBH-ZRDIBKRKSA-N
XLogP0.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.92
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 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine (CID 134172196) is 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine is C/N=C(/C1=C(N)CCNC1)C(C)C.
What is the InChIKey of 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is LHTZUZCXQVFOBH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)10(12-3)8-6-13-5-4-9(8)11/h7,13H,4-6,11H2,1-3H3/b12-10+.
What are the key properties of 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 181.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 134172196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).