2-imino-1-methylpiperidin-4-amine

C6H13N3 — CID 18974353

IUPAC2-imino-1-methylpiperidin-4-amine
SMILES[H]/N=C1\CC(N)CCN1C
InChIInChI=1S/C6H13N3/c1-9-3-2-5(7)4-6(9)8/h5,8H,2-4,7H2,1H3/b8-6+
InChIKeyFVGYEVOYOSKRPH-SOFGYWHQSA-N
MW127.19 g/mol
LogP0.02
Rot. Bonds

About 2-imino-1-methylpiperidin-4-amine

2-imino-1-methylpiperidin-4-amine (PubChem CID 18974353) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-imino-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2-imino-1-methylpiperidin-4-amine
PubChem CID18974353
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-imino-1-methylpiperidin-4-amine
SMILES[H]/N=C1\CC(N)CCN1C
InChIInChI=1S/C6H13N3/c1-9-3-2-5(7)4-6(9)8/h5,8H,2-4,7H2,1H3/b8-6+
InChIKeyFVGYEVOYOSKRPH-SOFGYWHQSA-N
XLogP0.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-imino-1-methylpiperidin-4-amine?
The IUPAC name of 2-imino-1-methylpiperidin-4-amine (CID 18974353) is 2-imino-1-methylpiperidin-4-amine.
What is the SMILES notation for 2-imino-1-methylpiperidin-4-amine?
The canonical SMILES for 2-imino-1-methylpiperidin-4-amine is [H]/N=C1\CC(N)CCN1C.
What is the InChIKey of 2-imino-1-methylpiperidin-4-amine?
The InChIKey is FVGYEVOYOSKRPH-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H13N3/c1-9-3-2-5(7)4-6(9)8/h5,8H,2-4,7H2,1H3/b8-6+.
What are the key properties of 2-imino-1-methylpiperidin-4-amine?
2-imino-1-methylpiperidin-4-amine has a molecular weight of 127.19 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylpiperidin-4-amine is sourced from PubChem (CID 18974353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).