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

C7H13N3 — CID 88964986

IUPAC5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILES[H]/N=C/C1=C(N)CCN(C)C1
InChIInChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h4,8H,2-3,5,9H2,1H3/b8-4+
InChIKeyKPGQURXPJHBFAX-XBXARRHUSA-N
MW139.20 g/mol
LogP0.18
Rot. Bonds1

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

5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 88964986) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID88964986
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILES[H]/N=C/C1=C(N)CCN(C)C1
InChIInChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h4,8H,2-3,5,9H2,1H3/b8-4+
InChIKeyKPGQURXPJHBFAX-XBXARRHUSA-N
XLogP0.18
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
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-methyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine (CID 88964986) is 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine is [H]/N=C/C1=C(N)CCN(C)C1.
What is the InChIKey of 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is KPGQURXPJHBFAX-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h4,8H,2-3,5,9H2,1H3/b8-4+.
What are the key properties of 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 139.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-1-methyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 88964986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).