5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine

C6H11N3 — CID 89122717

IUPAC5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
SMILES[H]/N=C/C1=C(N)CCNC1
InChIInChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,7,9H,1-2,4,8H2/b7-3+
InChIKeyXNMBFQSEUYSSFU-XVNBXDOJSA-N
MW125.17 g/mol
LogP-0.16
Rot. Bonds1

About 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine

5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 89122717) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID89122717
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
SMILES[H]/N=C/C1=C(N)CCNC1
InChIInChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,7,9H,1-2,4,8H2/b7-3+
InChIKeyXNMBFQSEUYSSFU-XVNBXDOJSA-N
XLogP-0.16
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine (CID 89122717) is 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine is [H]/N=C/C1=C(N)CCNC1.
What is the InChIKey of 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is XNMBFQSEUYSSFU-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,7,9H,1-2,4,8H2/b7-3+.
What are the key properties of 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 125.17 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 89122717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).