9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine

C13H20N6 — CID 62897430

IUPAC9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
SMILESCN(CCCn1cnc2c(N)ncnc21)CC1CC1
InChIInChI=1S/C13H20N6/c1-18(7-10-3-4-10)5-2-6-19-9-17-11-12(14)15-8-16-13(11)19/h8-10H,2-7H2,1H3,(H2,14,15,16)
InChIKeyRJFVFIBQMZPOKG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.14
Rot. Bonds6

About 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine

9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine (PubChem CID 62897430) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
PubChem CID62897430
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
SMILESCN(CCCn1cnc2c(N)ncnc21)CC1CC1
InChIInChI=1S/C13H20N6/c1-18(7-10-3-4-10)5-2-6-19-9-17-11-12(14)15-8-16-13(11)19/h8-10H,2-7H2,1H3,(H2,14,15,16)
InChIKeyRJFVFIBQMZPOKG-UHFFFAOYSA-N
XLogP1.14
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
CID 62897064
9-[3-[methyl(oxolan-3-yl)amino]propyl]purin-6-amine
CID 115617276
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
9-nonylpurin-6-amine
CID 3816519
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
CID 63718095
9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine
CID 79481965
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
CID 66424922
9-[2-(azetidin-3-yl)ethyl]purin-6-amine
CID 107391226

Frequently Asked Questions

What is the IUPAC name of 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine?
The IUPAC name of 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine (CID 62897430) is 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine.
What is the SMILES notation for 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine?
The canonical SMILES for 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine is CN(CCCn1cnc2c(N)ncnc21)CC1CC1.
What is the InChIKey of 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine?
The InChIKey is RJFVFIBQMZPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18(7-10-3-4-10)5-2-6-19-9-17-11-12(14)15-8-16-13(11)19/h8-10H,2-7H2,1H3,(H2,14,15,16).
What are the key properties of 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine?
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine has a molecular weight of 260.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine is sourced from PubChem (CID 62897430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).