9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine

C15H24N6 — CID 62897064

IUPAC9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
SMILESCC(C)N(CCCn1cnc2c(N)ncnc21)CC1CC1
InChIInChI=1S/C15H24N6/c1-11(2)20(8-12-4-5-12)6-3-7-21-10-19-13-14(16)17-9-18-15(13)21/h9-12H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyVGUAINQHBXTAPS-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.92
Rot. Bonds7

About 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine

9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine (PubChem CID 62897064) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
PubChem CID62897064
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
SMILESCC(C)N(CCCn1cnc2c(N)ncnc21)CC1CC1
InChIInChI=1S/C15H24N6/c1-11(2)20(8-12-4-5-12)6-3-7-21-10-19-13-14(16)17-9-18-15(13)21/h9-12H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyVGUAINQHBXTAPS-UHFFFAOYSA-N
XLogP1.92
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine
CID 79481965
9-[3-[methyl(oxolan-3-yl)amino]propyl]purin-6-amine
CID 115617276
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
9-nonylpurin-6-amine
CID 3816519
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
CID 63718095
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
CID 66424922
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334

Frequently Asked Questions

What is the IUPAC name of 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine?
The IUPAC name of 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine (CID 62897064) is 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine.
What is the SMILES notation for 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine?
The canonical SMILES for 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine is CC(C)N(CCCn1cnc2c(N)ncnc21)CC1CC1.
What is the InChIKey of 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine?
The InChIKey is VGUAINQHBXTAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-11(2)20(8-12-4-5-12)6-3-7-21-10-19-13-14(16)17-9-18-15(13)21/h9-12H,3-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine?
9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine has a molecular weight of 288.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine is sourced from PubChem (CID 62897064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).