N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine

C12H21N3O — CID 107844863

IUPACN'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
SMILESCOc1cccnc1NCCCCCCN
InChIInChI=1S/C12H21N3O/c1-16-11-7-6-10-15-12(11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyAZGVWMCIAVWHMA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.02
Rot. Bonds8

About N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine

N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine (PubChem CID 107844863) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
PubChem CID107844863
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
SMILESCOc1cccnc1NCCCCCCN
InChIInChI=1S/C12H21N3O/c1-16-11-7-6-10-15-12(11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyAZGVWMCIAVWHMA-UHFFFAOYSA-N
XLogP2.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine?
The IUPAC name of N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine (CID 107844863) is N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine?
The canonical SMILES for N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine is COc1cccnc1NCCCCCCN.
What is the InChIKey of N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine?
The InChIKey is AZGVWMCIAVWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-16-11-7-6-10-15-12(11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9,13H2,1H3,(H,14,15).
What are the key properties of N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine?
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine is sourced from PubChem (CID 107844863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).