2-[(5-methylhexylamino)methyl]pyridin-3-amine

C13H23N3 — CID 104740216

IUPAC2-[(5-methylhexylamino)methyl]pyridin-3-amine
SMILESCC(C)CCCCNCc1ncccc1N
InChIInChI=1S/C13H23N3/c1-11(2)6-3-4-8-15-10-13-12(14)7-5-9-16-13/h5,7,9,11,15H,3-4,6,8,10,14H2,1-2H3
InChIKeyQYWQHDJZULFINQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.58
Rot. Bonds7

About 2-[(5-methylhexylamino)methyl]pyridin-3-amine

2-[(5-methylhexylamino)methyl]pyridin-3-amine (PubChem CID 104740216) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(5-methylhexylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(5-methylhexylamino)methyl]pyridin-3-amine
PubChem CID104740216
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(5-methylhexylamino)methyl]pyridin-3-amine
SMILESCC(C)CCCCNCc1ncccc1N
InChIInChI=1S/C13H23N3/c1-11(2)6-3-4-8-15-10-13-12(14)7-5-9-16-13/h5,7,9,11,15H,3-4,6,8,10,14H2,1-2H3
InChIKeyQYWQHDJZULFINQ-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylhexylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(5-methylhexylamino)methyl]pyridin-3-amine (CID 104740216) is 2-[(5-methylhexylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(5-methylhexylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(5-methylhexylamino)methyl]pyridin-3-amine is CC(C)CCCCNCc1ncccc1N.
What is the InChIKey of 2-[(5-methylhexylamino)methyl]pyridin-3-amine?
The InChIKey is QYWQHDJZULFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)6-3-4-8-15-10-13-12(14)7-5-9-16-13/h5,7,9,11,15H,3-4,6,8,10,14H2,1-2H3.
What are the key properties of 2-[(5-methylhexylamino)methyl]pyridin-3-amine?
2-[(5-methylhexylamino)methyl]pyridin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylhexylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104740216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).