(4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium

C6H12N3+ — CID 149247962

IUPAC(4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium
SMILESNC1=C(C=[NH2+])CNCC1
InChIInChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,7,9H,1-2,4,8H2/p+1
InChIKeyXNMBFQSEUYSSFU-UHFFFAOYSA-O
MW126.18 g/mol
LogP-1.98
Rot. Bonds1

About (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium

(4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium (PubChem CID 149247962) has the molecular formula C6H12N3+ and a molecular weight of 126.18 g/mol. Its IUPAC name is (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium.

Molecular Properties

Compound Name(4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium
PubChem CID149247962
Molecular FormulaC6H12N3+
Molecular Weight126.18 g/mol
Exact Mass126.10
IUPAC Name(4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium
SMILESNC1=C(C=[NH2+])CNCC1
InChIInChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,7,9H,1-2,4,8H2/p+1
InChIKeyXNMBFQSEUYSSFU-UHFFFAOYSA-O
XLogP-1.98
TPSA63.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-5-methanimidoyl-2,6-dihydro-1H-pyridin-4-amine
CID 172248079
N-methyl-4-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 68179646
1-ethyl-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine
CID 88216043
5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 88964986
5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 89122717
1-methyl-5-(methyliminomethyl)-3,6-dihydro-2H-pyridin-4-amine
CID 89958200
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
3,7-Diazabicyclo[4.2.0]octa-1(6),7-diene
CID 117981270
4,5,6,7-Tetrahydropyrazolo[4,3-c]pyridin-2-ium
CID 123203336
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 142313205
4-Methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine
CID 143154576

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium?
The IUPAC name of (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium (CID 149247962) is (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium.
What is the SMILES notation for (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium?
The canonical SMILES for (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium is NC1=C(C=[NH2+])CNCC1.
What is the InChIKey of (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium?
The InChIKey is XNMBFQSEUYSSFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,7,9H,1-2,4,8H2/p+1.
What are the key properties of (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium?
(4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium has a molecular weight of 126.18 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium is sourced from PubChem (CID 149247962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).