N-(1-iodoethyl)-1-pyridin-2-ylethanamine

C9H13IN2 — CID 174262770

IUPACN-(1-iodoethyl)-1-pyridin-2-ylethanamine
SMILESCC(I)NC(C)c1ccccn1
InChIInChI=1S/C9H13IN2/c1-7(12-8(2)10)9-5-3-4-6-11-9/h3-8,12H,1-2H3
InChIKeyMLWRCTPOTFUBHH-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.51
Rot. Bonds3

About N-(1-iodoethyl)-1-pyridin-2-ylethanamine

N-(1-iodoethyl)-1-pyridin-2-ylethanamine (PubChem CID 174262770) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-(1-iodoethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(1-iodoethyl)-1-pyridin-2-ylethanamine
PubChem CID174262770
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC NameN-(1-iodoethyl)-1-pyridin-2-ylethanamine
SMILESCC(I)NC(C)c1ccccn1
InChIInChI=1S/C9H13IN2/c1-7(12-8(2)10)9-5-3-4-6-11-9/h3-8,12H,1-2H3
InChIKeyMLWRCTPOTFUBHH-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.51
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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Related Compounds

(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 104865186
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325

Frequently Asked Questions

What is the IUPAC name of N-(1-iodoethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of N-(1-iodoethyl)-1-pyridin-2-ylethanamine (CID 174262770) is N-(1-iodoethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-(1-iodoethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for N-(1-iodoethyl)-1-pyridin-2-ylethanamine is CC(I)NC(C)c1ccccn1.
What is the InChIKey of N-(1-iodoethyl)-1-pyridin-2-ylethanamine?
The InChIKey is MLWRCTPOTFUBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2/c1-7(12-8(2)10)9-5-3-4-6-11-9/h3-8,12H,1-2H3.
What are the key properties of N-(1-iodoethyl)-1-pyridin-2-ylethanamine?
N-(1-iodoethyl)-1-pyridin-2-ylethanamine has a molecular weight of 276.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodoethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 174262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).