2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine

C8H14IN3 — CID 148866379

IUPAC2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESNC=C(I)/C=N/C1CCNCC1
InChIInChI=1S/C8H14IN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h5-6,8,11H,1-4,10H2/b7-5?,12-6+
InChIKeyRZBHKFPZLJGWOT-IUCOVCMHSA-N
MW279.12 g/mol
LogP1.04
Rot. Bonds2

About 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine

2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine (PubChem CID 148866379) has the molecular formula C8H14IN3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine
PubChem CID148866379
Molecular FormulaC8H14IN3
Molecular Weight279.12 g/mol
Exact Mass279.02
IUPAC Name2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESNC=C(I)/C=N/C1CCNCC1
InChIInChI=1S/C8H14IN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h5-6,8,11H,1-4,10H2/b7-5?,12-6+
InChIKeyRZBHKFPZLJGWOT-IUCOVCMHSA-N
XLogP1.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine?
The IUPAC name of 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine (CID 148866379) is 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine.
What is the SMILES notation for 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine?
The canonical SMILES for 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine is NC=C(I)/C=N/C1CCNCC1.
What is the InChIKey of 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine?
The InChIKey is RZBHKFPZLJGWOT-IUCOVCMHSA-N. The full InChI is InChI=1S/C8H14IN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h5-6,8,11H,1-4,10H2/b7-5?,12-6+.
What are the key properties of 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine?
2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine has a molecular weight of 279.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-piperidin-4-yliminoprop-1-en-1-amine is sourced from PubChem (CID 148866379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).