9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine

C15H23N5O — CID 66424922

IUPAC9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
SMILESCC1CCCCC1OCCCn1cnc2c(N)ncnc21
InChIInChI=1S/C15H23N5O/c1-11-5-2-3-6-12(11)21-8-4-7-20-10-19-13-14(16)17-9-18-15(13)20/h9-12H,2-8H2,1H3,(H2,16,17,18)
InChIKeyGFAVUDINQPVDQM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.39
Rot. Bonds5

About 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine

9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine (PubChem CID 66424922) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
PubChem CID66424922
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
SMILESCC1CCCCC1OCCCn1cnc2c(N)ncnc21
InChIInChI=1S/C15H23N5O/c1-11-5-2-3-6-12(11)21-8-4-7-20-10-19-13-14(16)17-9-18-15(13)20/h9-12H,2-8H2,1H3,(H2,16,17,18)
InChIKeyGFAVUDINQPVDQM-UHFFFAOYSA-N
XLogP2.39
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
9-[3-(2,2,2-trifluoroethoxy)propyl]purin-6-amine
CID 55215661
9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
CID 103533908
9-nonylpurin-6-amine
CID 3816519
9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
CID 62897064
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-pent-4-ynylpurin-6-amine
CID 91098853

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine?
The IUPAC name of 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine (CID 66424922) is 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine.
What is the SMILES notation for 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine?
The canonical SMILES for 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine is CC1CCCCC1OCCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine?
The InChIKey is GFAVUDINQPVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-5-2-3-6-12(11)21-8-4-7-20-10-19-13-14(16)17-9-18-15(13)20/h9-12H,2-8H2,1H3,(H2,16,17,18).
What are the key properties of 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine?
9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine has a molecular weight of 289.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine is sourced from PubChem (CID 66424922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).