4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine

C14H23N3 — CID 79598485

IUPAC4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine
SMILESCC(=CCCNC(C)C)Cc1ccnc(N)c1
InChIInChI=1S/C14H23N3/c1-11(2)16-7-4-5-12(3)9-13-6-8-17-14(15)10-13/h5-6,8,10-11,16H,4,7,9H2,1-3H3,(H2,15,17)
InChIKeyLXABNOOKBRAOFA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.54
Rot. Bonds6

About 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine

4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine (PubChem CID 79598485) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine
PubChem CID79598485
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine
SMILESCC(=CCCNC(C)C)Cc1ccnc(N)c1
InChIInChI=1S/C14H23N3/c1-11(2)16-7-4-5-12(3)9-13-6-8-17-14(15)10-13/h5-6,8,10-11,16H,4,7,9H2,1-3H3,(H2,15,17)
InChIKeyLXABNOOKBRAOFA-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine?
The IUPAC name of 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine (CID 79598485) is 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine?
The canonical SMILES for 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine is CC(=CCCNC(C)C)Cc1ccnc(N)c1.
What is the InChIKey of 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine?
The InChIKey is LXABNOOKBRAOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)16-7-4-5-12(3)9-13-6-8-17-14(15)10-13/h5-6,8,10-11,16H,4,7,9H2,1-3H3,(H2,15,17).
What are the key properties of 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine?
4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine is sourced from PubChem (CID 79598485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).