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

C6H11N3 — CID 147395355

IUPAC6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)CCCN1
InChIInChI=1S/C6H11N3/c7-4-6-5(8)2-1-3-9-6/h4,7,9H,1-3,8H2/b7-4+
InChIKeyDNRODICAIGRDOO-QPJJXVBHSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds1

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

6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine (PubChem CID 147395355) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine
PubChem CID147395355
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)CCCN1
InChIInChI=1S/C6H11N3/c7-4-6-5(8)2-1-3-9-6/h4,7,9H,1-3,8H2/b7-4+
InChIKeyDNRODICAIGRDOO-QPJJXVBHSA-N
XLogP0.19
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 ≤ 50.19
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

2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 17858138
1,2,3,4,7,8-Hexahydro-1,5-naphthyridine
CID 68745640
6-Ethyl-5-methyl-1,2-dihydropyrazine
CID 117881558
4-Methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine
CID 143154576
2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 163427066
6-(Methyliminomethyl)-1,2,3,4-tetrahydropyridin-5-amine
CID 172242938
1,2,3,4,7,8-Hexahydro-1,5-naphthyridin-5-ium
CID 173071655
(5-Ethyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 172259134
(E)-1-imino-2-N-methylpent-2-ene-2,3-diamine
CID 177223268
(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine
CID 178154716

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine?
The IUPAC name of 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine (CID 147395355) is 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine.
What is the SMILES notation for 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine?
The canonical SMILES for 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine is [H]/N=C/C1=C(N)CCCN1.
What is the InChIKey of 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine?
The InChIKey is DNRODICAIGRDOO-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11N3/c7-4-6-5(8)2-1-3-9-6/h4,7,9H,1-3,8H2/b7-4+.
What are the key properties of 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine?
6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine has a molecular weight of 125.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine is sourced from PubChem (CID 147395355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).