2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine

C10H17IN2 — CID 91308032

IUPAC2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
SMILESCC(C)I.CNCc1ccncc1
InChIInChI=1S/C7H10N2.C3H7I/c1-8-6-7-2-4-9-5-3-7;1-3(2)4/h2-5,8H,6H2,1H3;3H,1-2H3
InChIKeyGHOOICMZXCPLKG-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.63
Rot. Bonds2

About 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine

2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 91308032) has the molecular formula C10H17IN2 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
PubChem CID91308032
Molecular FormulaC10H17IN2
Molecular Weight292.16 g/mol
Exact Mass292.04
IUPAC Name2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
SMILESCC(C)I.CNCc1ccncc1
InChIInChI=1S/C7H10N2.C3H7I/c1-8-6-7-2-4-9-5-3-7;1-3(2)4/h2-5,8H,6H2,1H3;3H,1-2H3
InChIKeyGHOOICMZXCPLKG-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine (CID 91308032) is 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine is CC(C)I.CNCc1ccncc1.
What is the InChIKey of 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is GHOOICMZXCPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C3H7I/c1-8-6-7-2-4-9-5-3-7;1-3(2)4/h2-5,8H,6H2,1H3;3H,1-2H3.
What are the key properties of 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine?
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 292.16 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 91308032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).