1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine

C8H17IN2 — CID 130420812

IUPAC1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine
SMILESCCN1CC(C)C(CNI)C1
InChIInChI=1S/C8H17IN2/c1-3-11-5-7(2)8(6-11)4-10-9/h7-8,10H,3-6H2,1-2H3
InChIKeyXOZUVRNPMRPGAY-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.51
Rot. Bonds3

About 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine

1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine (PubChem CID 130420812) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine
PubChem CID130420812
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC Name1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine
SMILESCCN1CC(C)C(CNI)C1
InChIInChI=1S/C8H17IN2/c1-3-11-5-7(2)8(6-11)4-10-9/h7-8,10H,3-6H2,1-2H3
InChIKeyXOZUVRNPMRPGAY-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine?
The IUPAC name of 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine (CID 130420812) is 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine.
What is the SMILES notation for 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine?
The canonical SMILES for 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine is CCN1CC(C)C(CNI)C1.
What is the InChIKey of 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine?
The InChIKey is XOZUVRNPMRPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2/c1-3-11-5-7(2)8(6-11)4-10-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine?
1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine has a molecular weight of 268.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methylpyrrolidin-3-yl)-N-iodomethanamine is sourced from PubChem (CID 130420812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).