4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine

C10H15IN2O — CID 163875838

IUPAC4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine
SMILESCCC(COC)Nc1cc(I)ccn1
InChIInChI=1S/C10H15IN2O/c1-3-9(7-14-2)13-10-6-8(11)4-5-12-10/h4-6,9H,3,7H2,1-2H3,(H,12,13)
InChIKeyPOTOGRWEZZOOFG-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.52
Rot. Bonds5

About 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine

4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine (PubChem CID 163875838) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine
PubChem CID163875838
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine
SMILESCCC(COC)Nc1cc(I)ccn1
InChIInChI=1S/C10H15IN2O/c1-3-9(7-14-2)13-10-6-8(11)4-5-12-10/h4-6,9H,3,7H2,1-2H3,(H,12,13)
InChIKeyPOTOGRWEZZOOFG-UHFFFAOYSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
CID 80837494
4-fluoro-N-pentan-3-ylpyridin-2-amine
CID 131084309
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
2-N-(1-methoxybutan-2-yl)-5-N,5-N-dimethylpyridine-2,5-diamine
CID 115921521
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
CID 75484664
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
3-[(2-hydrazinyl-4-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106163580
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine?
The IUPAC name of 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine (CID 163875838) is 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine is CCC(COC)Nc1cc(I)ccn1.
What is the InChIKey of 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine?
The InChIKey is POTOGRWEZZOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-3-9(7-14-2)13-10-6-8(11)4-5-12-10/h4-6,9H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine?
4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine has a molecular weight of 306.15 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 163875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).