1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride

C14H26Cl2N6 — CID 131875514

IUPAC1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
SMILESCCN(CC)CCCC(C)Nc1ncnc2nc[nH]c12.Cl.Cl
InChIInChI=1S/C14H24N6.2ClH/c1-4-20(5-2)8-6-7-11(3)19-14-12-13(16-9-15-12)17-10-18-14;;/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18,19);2*1H
InChIKeyOTEXISBUTWGHDL-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.12
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride

1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride (PubChem CID 131875514) has the molecular formula C14H26Cl2N6 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
PubChem CID131875514
Molecular FormulaC14H26Cl2N6
Molecular Weight349.31 g/mol
Exact Mass348.16
IUPAC Name1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
SMILESCCN(CC)CCCC(C)Nc1ncnc2nc[nH]c12.Cl.Cl
InChIInChI=1S/C14H24N6.2ClH/c1-4-20(5-2)8-6-7-11(3)19-14-12-13(16-9-15-12)17-10-18-14;;/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18,19);2*1H
InChIKeyOTEXISBUTWGHDL-UHFFFAOYSA-N
XLogP3.12
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-(1-methoxyhexan-2-yl)-7H-purin-6-amine
CID 133311736
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride?
The IUPAC name of 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride (CID 131875514) is 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride is CCN(CC)CCCC(C)Nc1ncnc2nc[nH]c12.Cl.Cl.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride?
The InChIKey is OTEXISBUTWGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6.2ClH/c1-4-20(5-2)8-6-7-11(3)19-14-12-13(16-9-15-12)17-10-18-14;;/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18,19);2*1H.
What are the key properties of 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride?
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 131875514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).