ethane;2-methylbutan-1-amine;7H-purin-6-amine

C12H24N6 — CID 144555996

IUPACethane;2-methylbutan-1-amine;7H-purin-6-amine
SMILESCC.CCC(C)CN.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5.C5H13N.C2H6/c6-4-3-5(9-1-7-3)10-2-8-4;1-3-5(2)4-6;1-2/h1-2H,(H3,6,7,8,9,10);5H,3-4,6H2,1-2H3;1-2H3
InChIKeyAYMYDXINBXMQNA-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.95
Rot. Bonds2

About ethane;2-methylbutan-1-amine;7H-purin-6-amine

ethane;2-methylbutan-1-amine;7H-purin-6-amine (PubChem CID 144555996) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is ethane;2-methylbutan-1-amine;7H-purin-6-amine.

Molecular Properties

Compound Nameethane;2-methylbutan-1-amine;7H-purin-6-amine
PubChem CID144555996
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Nameethane;2-methylbutan-1-amine;7H-purin-6-amine
SMILESCC.CCC(C)CN.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5.C5H13N.C2H6/c6-4-3-5(9-1-7-3)10-2-8-4;1-3-5(2)4-6;1-2/h1-2H,(H3,6,7,8,9,10);5H,3-4,6H2,1-2H3;1-2H3
InChIKeyAYMYDXINBXMQNA-UHFFFAOYSA-N
XLogP1.95
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
CID 54987903
bis(7H-purin-6-amine);sulfate
CID 23616791
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
octadecanoic acid;7H-purin-6-amine
CID 141436047
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
2-(2-methylbutylsulfanyl)-7H-purin-6-amine
CID 68896355
2,6-diaminohexanoic acid;7H-purin-6-amine
CID 174798775

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutan-1-amine;7H-purin-6-amine?
The IUPAC name of ethane;2-methylbutan-1-amine;7H-purin-6-amine (CID 144555996) is ethane;2-methylbutan-1-amine;7H-purin-6-amine.
What is the SMILES notation for ethane;2-methylbutan-1-amine;7H-purin-6-amine?
The canonical SMILES for ethane;2-methylbutan-1-amine;7H-purin-6-amine is CC.CCC(C)CN.Nc1ncnc2nc[nH]c12.
What is the InChIKey of ethane;2-methylbutan-1-amine;7H-purin-6-amine?
The InChIKey is AYMYDXINBXMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.C5H13N.C2H6/c6-4-3-5(9-1-7-3)10-2-8-4;1-3-5(2)4-6;1-2/h1-2H,(H3,6,7,8,9,10);5H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylbutan-1-amine;7H-purin-6-amine?
ethane;2-methylbutan-1-amine;7H-purin-6-amine has a molecular weight of 252.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutan-1-amine;7H-purin-6-amine is sourced from PubChem (CID 144555996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).