ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine

C9H19N3 — CID 142313205

IUPACethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCC.[H]/N=C/C1=C(N)CCN(C)C1
InChIInChI=1S/C7H13N3.C2H6/c1-10-3-2-7(9)6(4-8)5-10;1-2/h4,8H,2-3,5,9H2,1H3;1-2H3/b8-4+;
InChIKeyDIOQNUKFOJNUMC-ZFXMFRGYSA-N
MW169.27 g/mol
LogP1.21
Rot. Bonds1

About ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine

ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 142313205) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Nameethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID142313205
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCC.[H]/N=C/C1=C(N)CCN(C)C1
InChIInChI=1S/C7H13N3.C2H6/c1-10-3-2-7(9)6(4-8)5-10;1-2/h4,8H,2-3,5,9H2,1H3;1-2H3/b8-4+;
InChIKeyDIOQNUKFOJNUMC-ZFXMFRGYSA-N
XLogP1.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine (CID 142313205) is ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine is CC.[H]/N=C/C1=C(N)CCN(C)C1.
What is the InChIKey of ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is DIOQNUKFOJNUMC-ZFXMFRGYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-10-3-2-7(9)6(4-8)5-10;1-2/h4,8H,2-3,5,9H2,1H3;1-2H3/b8-4+;.
What are the key properties of ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 142313205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).