4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine

C14H24N6 — CID 135747545

IUPAC4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCC(C)/N=C1\N=CNC2=NC=NC21
InChIInChI=1S/C14H24N6/c1-4-20(5-2)8-6-7-11(3)19-14-12-13(16-9-15-12)17-10-18-14/h9-12H,4-8H2,1-3H3,(H,15,16,17,18,19)
InChIKeyOYBFTNOXTDWJLD-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.34
Rot. Bonds7

About 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine

4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine (PubChem CID 135747545) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine.

Molecular Properties

Compound Name4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine
PubChem CID135747545
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCC(C)/N=C1\N=CNC2=NC=NC21
InChIInChI=1S/C14H24N6/c1-4-20(5-2)8-6-7-11(3)19-14-12-13(16-9-15-12)17-10-18-14/h9-12H,4-8H2,1-3H3,(H,15,16,17,18,19)
InChIKeyOYBFTNOXTDWJLD-UHFFFAOYSA-N
XLogP1.34
TPSA64.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine?
The IUPAC name of 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine (CID 135747545) is 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine.
What is the SMILES notation for 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine?
The canonical SMILES for 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine is CCN(CC)CCCC(C)/N=C1\N=CNC2=NC=NC21.
What is the InChIKey of 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine?
The InChIKey is OYBFTNOXTDWJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-4-20(5-2)8-6-7-11(3)19-14-12-13(16-9-15-12)17-10-18-14/h9-12H,4-8H2,1-3H3,(H,15,16,17,18,19).
What are the key properties of 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine?
4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine has a molecular weight of 276.39 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine is sourced from PubChem (CID 135747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).