N-hexan-3-yl-7H-purin-6-amine

C11H17N5 — CID 62045757

IUPACN-hexan-3-yl-7H-purin-6-amine
SMILESCCCC(CC)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C11H17N5/c1-3-5-8(4-2)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyLVGGYLDJFHNVSI-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.34
Rot. Bonds5

About N-hexan-3-yl-7H-purin-6-amine

N-hexan-3-yl-7H-purin-6-amine (PubChem CID 62045757) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-hexan-3-yl-7H-purin-6-amine.

Molecular Properties

Compound NameN-hexan-3-yl-7H-purin-6-amine
PubChem CID62045757
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-hexan-3-yl-7H-purin-6-amine
SMILESCCCC(CC)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C11H17N5/c1-3-5-8(4-2)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyLVGGYLDJFHNVSI-UHFFFAOYSA-N
XLogP2.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
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
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
N-butyl-7H-purin-6-amine;ethane
CID 154667457
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
CID 132547243
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-7H-purin-6-amine?
The IUPAC name of N-hexan-3-yl-7H-purin-6-amine (CID 62045757) is N-hexan-3-yl-7H-purin-6-amine.
What is the SMILES notation for N-hexan-3-yl-7H-purin-6-amine?
The canonical SMILES for N-hexan-3-yl-7H-purin-6-amine is CCCC(CC)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-hexan-3-yl-7H-purin-6-amine?
The InChIKey is LVGGYLDJFHNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-5-8(4-2)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-hexan-3-yl-7H-purin-6-amine?
N-hexan-3-yl-7H-purin-6-amine has a molecular weight of 219.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-7H-purin-6-amine is sourced from PubChem (CID 62045757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).