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

C12H21N3 — CID 107844649

IUPACN'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
SMILESCc1cccnc1NCCCCCCN
InChIInChI=1S/C12H21N3/c1-11-7-6-10-15-12(11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyHDWXVEVYNAJKET-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds7

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

N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine (PubChem CID 107844649) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
PubChem CID107844649
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
SMILESCc1cccnc1NCCCCCCN
InChIInChI=1S/C12H21N3/c1-11-7-6-10-15-12(11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyHDWXVEVYNAJKET-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
CID 66106814
N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62253337
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
3-methyl-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 106325916

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine?
The IUPAC name of N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine (CID 107844649) is N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine?
The canonical SMILES for N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine is Cc1cccnc1NCCCCCCN.
What is the InChIKey of N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine?
The InChIKey is HDWXVEVYNAJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-7-6-10-15-12(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-methyl-2-pyridinyl)hexane-1,6-diamine?
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine is sourced from PubChem (CID 107844649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).