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

C6H11N3 — CID 143154576

IUPAC4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)CNCC1
InChIInChI=1S/C6H11N3/c7-3-5-1-2-9-4-6(5)8/h3,7,9H,1-2,4,8H2/b7-3+
InChIKeyXIDAMQWZARHDRD-XVNBXDOJSA-N
MW125.17 g/mol
LogP-0.16
Rot. Bonds1

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

4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 143154576) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID143154576
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)CNCC1
InChIInChI=1S/C6H11N3/c7-3-5-1-2-9-4-6(5)8/h3,7,9H,1-2,4,8H2/b7-3+
InChIKeyXIDAMQWZARHDRD-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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Related Compounds

5-Amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride
CID 138666211
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 58269999
4-Methyl-1,2,3,6-tetrahydropyridin-5-amine
CID 67861468
N-methyl-4-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 68179646
4-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 88964990
5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 89122717
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
4-(Methylaminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 117805525
3,7-Diazabicyclo[4.2.0]octa-1(6),7-diene
CID 117981270
4,5,6,7-tetrahydro-3H-pyrrolo[2,3-c]pyridine
CID 122434811
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine
CID 135275565

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine (CID 143154576) is 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine is [H]/N=C/C1=C(N)CNCC1.
What is the InChIKey of 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is XIDAMQWZARHDRD-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11N3/c7-3-5-1-2-9-4-6(5)8/h3,7,9H,1-2,4,8H2/b7-3+.
What are the key properties of 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine?
4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-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 4-methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 143154576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).