3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine

C13H21N3 — CID 79599485

IUPAC3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
SMILESCCNCCC=C(C)Cc1cccnc1N
InChIInChI=1S/C13H21N3/c1-3-15-8-4-6-11(2)10-12-7-5-9-16-13(12)14/h5-7,9,15H,3-4,8,10H2,1-2H3,(H2,14,16)
InChIKeyQEUWOPJZNQXOJZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds6

About 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine

3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine (PubChem CID 79599485) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
PubChem CID79599485
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
SMILESCCNCCC=C(C)Cc1cccnc1N
InChIInChI=1S/C13H21N3/c1-3-15-8-4-6-11(2)10-12-7-5-9-16-13(12)14/h5-7,9,15H,3-4,8,10H2,1-2H3,(H2,14,16)
InChIKeyQEUWOPJZNQXOJZ-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The IUPAC name of 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine (CID 79599485) is 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine.
What is the SMILES notation for 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The canonical SMILES for 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine is CCNCCC=C(C)Cc1cccnc1N.
What is the InChIKey of 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The InChIKey is QEUWOPJZNQXOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-15-8-4-6-11(2)10-12-7-5-9-16-13(12)14/h5-7,9,15H,3-4,8,10H2,1-2H3,(H2,14,16).
What are the key properties of 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine is sourced from PubChem (CID 79599485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).