4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine

C13H21N3 — CID 79598454

IUPAC4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
SMILESCCNCCC=C(C)Cc1ccnc(N)c1
InChIInChI=1S/C13H21N3/c1-3-15-7-4-5-11(2)9-12-6-8-16-13(14)10-12/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H2,14,16)
InChIKeyZZPCOGOTUKPNMS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds6

About 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine

4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine (PubChem CID 79598454) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
PubChem CID79598454
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
SMILESCCNCCC=C(C)Cc1ccnc(N)c1
InChIInChI=1S/C13H21N3/c1-3-15-7-4-5-11(2)9-12-6-8-16-13(14)10-12/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H2,14,16)
InChIKeyZZPCOGOTUKPNMS-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 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The IUPAC name of 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine (CID 79598454) is 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The canonical SMILES for 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine is CCNCCC=C(C)Cc1ccnc(N)c1.
What is the InChIKey of 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The InChIKey is ZZPCOGOTUKPNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-15-7-4-5-11(2)9-12-6-8-16-13(14)10-12/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H2,14,16).
What are the key properties of 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
4-[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 4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine is sourced from PubChem (CID 79598454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).