1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine

C9H13IN2 — CID 102547042

IUPAC1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cnc(I)cc1C
InChIInChI=1S/C9H13IN2/c1-3-8(11)7-5-12-9(10)4-6(7)2/h4-5,8H,3,11H2,1-2H3
InChIKeyQENGQTWYVSLWAX-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.40
Rot. Bonds2

About 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine

1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine (PubChem CID 102547042) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine
PubChem CID102547042
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC Name1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cnc(I)cc1C
InChIInChI=1S/C9H13IN2/c1-3-8(11)7-5-12-9(10)4-6(7)2/h4-5,8H,3,11H2,1-2H3
InChIKeyQENGQTWYVSLWAX-UHFFFAOYSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[(1R)-1-aminopropyl]-4-methylpyridin-2-amine
CID 55275674
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine
CID 124501686
(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
CID 55277607
5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine
CID 124501825
5-(1-aminopropyl)-4-methyl-N-propylpyridin-2-amine
CID 102545297
5-[(1S)-1-aminopropyl]-4-methyl-N-propylpyridin-2-amine
CID 124501813
5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
CID 124502187
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
CID 102545461
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 124501981
1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 102545557
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine (CID 102547042) is 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine is CCC(N)c1cnc(I)cc1C.
What is the InChIKey of 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is QENGQTWYVSLWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2/c1-3-8(11)7-5-12-9(10)4-6(7)2/h4-5,8H,3,11H2,1-2H3.
What are the key properties of 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine?
1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 276.12 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 102547042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).