N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine

C14H23N5 — CID 123305094

IUPACN-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
SMILESCCCC(C)C(C)C(C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C14H23N5/c1-5-6-9(2)10(3)11(4)19-14-12-13(16-7-15-12)17-8-18-14/h7-11H,5-6H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyDEQLMAZVRNPZLF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.23
Rot. Bonds6

About N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine

N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine (PubChem CID 123305094) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
PubChem CID123305094
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
SMILESCCCC(C)C(C)C(C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C14H23N5/c1-5-6-9(2)10(3)11(4)19-14-12-13(16-7-15-12)17-8-18-14/h7-11H,5-6H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyDEQLMAZVRNPZLF-UHFFFAOYSA-N
XLogP3.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
N-(1-methoxyhexan-2-yl)-7H-purin-6-amine
CID 133311736
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
N-(3-ethyl-2,4-dimethylpentan-3-yl)-7H-purin-6-amine
CID 131972661
N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
CID 129151813
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine?
The IUPAC name of N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine (CID 123305094) is N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine?
The canonical SMILES for N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine is CCCC(C)C(C)C(C)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine?
The InChIKey is DEQLMAZVRNPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-6-9(2)10(3)11(4)19-14-12-13(16-7-15-12)17-8-18-14/h7-11H,5-6H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine?
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine has a molecular weight of 261.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 123305094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).