1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine

C10H19IN2 — CID 118423121

IUPAC1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCCN1CCC(NC(C)I)=C(C)C1
InChIInChI=1S/C10H19IN2/c1-4-13-6-5-10(8(2)7-13)12-9(3)11/h9,12H,4-7H2,1-3H3
InChIKeySPEMTTQCOBFFBK-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.36
Rot. Bonds3

About 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine

1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 118423121) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID118423121
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Name1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCCN1CCC(NC(C)I)=C(C)C1
InChIInChI=1S/C10H19IN2/c1-4-13-6-5-10(8(2)7-13)12-9(3)11/h9,12H,4-7H2,1-3H3
InChIKeySPEMTTQCOBFFBK-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.36
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine (CID 118423121) is 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine is CCN1CCC(NC(C)I)=C(C)C1.
What is the InChIKey of 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is SPEMTTQCOBFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2/c1-4-13-6-5-10(8(2)7-13)12-9(3)11/h9,12H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine?
1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 294.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 118423121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).