6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine

C13H21IN2O — CID 107844830

IUPAC6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
SMILESCOc1cccc(CNCCCCCCI)n1
InChIInChI=1S/C13H21IN2O/c1-17-13-8-6-7-12(16-13)11-15-10-5-3-2-4-9-14/h6-8,15H,2-5,9-11H2,1H3
InChIKeyHDUQBERQFABZND-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.18
Rot. Bonds9

About 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine

6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine (PubChem CID 107844830) has the molecular formula C13H21IN2O and a molecular weight of 348.23 g/mol. Its IUPAC name is 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
PubChem CID107844830
Molecular FormulaC13H21IN2O
Molecular Weight348.23 g/mol
Exact Mass348.07
IUPAC Name6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
SMILESCOc1cccc(CNCCCCCCI)n1
InChIInChI=1S/C13H21IN2O/c1-17-13-8-6-7-12(16-13)11-15-10-5-3-2-4-9-14/h6-8,15H,2-5,9-11H2,1H3
InChIKeyHDUQBERQFABZND-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103347430
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877
5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 107319994
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 103527080
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
N-[(6-methoxy-2-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688976

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine?
The IUPAC name of 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine (CID 107844830) is 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine.
What is the SMILES notation for 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine?
The canonical SMILES for 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine is COc1cccc(CNCCCCCCI)n1.
What is the InChIKey of 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine?
The InChIKey is HDUQBERQFABZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN2O/c1-17-13-8-6-7-12(16-13)11-15-10-5-3-2-4-9-14/h6-8,15H,2-5,9-11H2,1H3.
What are the key properties of 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine?
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine has a molecular weight of 348.23 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine is sourced from PubChem (CID 107844830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).