5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine

C14H23N3 — CID 79598084

IUPAC5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
SMILESCCCNCCC=C(C)c1cc(C)cnc1N
InChIInChI=1S/C14H23N3/c1-4-7-16-8-5-6-12(3)13-9-11(2)10-17-14(13)15/h6,9-10,16H,4-5,7-8H2,1-3H3,(H2,15,17)
InChIKeyHVOIEUOSXBAUJL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.77
Rot. Bonds6

About 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine

5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine (PubChem CID 79598084) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
PubChem CID79598084
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
SMILESCCCNCCC=C(C)c1cc(C)cnc1N
InChIInChI=1S/C14H23N3/c1-4-7-16-8-5-6-12(3)13-9-11(2)10-17-14(13)15/h6,9-10,16H,4-5,7-8H2,1-3H3,(H2,15,17)
InChIKeyHVOIEUOSXBAUJL-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.77
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 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine (CID 79598084) is 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine is CCCNCCC=C(C)c1cc(C)cnc1N.
What is the InChIKey of 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine?
The InChIKey is HVOIEUOSXBAUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-7-16-8-5-6-12(3)13-9-11(2)10-17-14(13)15/h6,9-10,16H,4-5,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine?
5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine is sourced from PubChem (CID 79598084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).