N,N-dimethyl-9-undecan-4-ylpurin-6-amine

C18H31N5 — CID 137470783

IUPACN,N-dimethyl-9-undecan-4-ylpurin-6-amine
SMILESCCCCCCCC(CCC)n1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C18H31N5/c1-5-7-8-9-10-12-15(11-6-2)23-14-21-16-17(22(3)4)19-13-20-18(16)23/h13-15H,5-12H2,1-4H3
InChIKeyPNHILCAIQCNJOE-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.59
Rot. Bonds10

About N,N-dimethyl-9-undecan-4-ylpurin-6-amine

N,N-dimethyl-9-undecan-4-ylpurin-6-amine (PubChem CID 137470783) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is N,N-dimethyl-9-undecan-4-ylpurin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-9-undecan-4-ylpurin-6-amine
PubChem CID137470783
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC NameN,N-dimethyl-9-undecan-4-ylpurin-6-amine
SMILESCCCCCCCC(CCC)n1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C18H31N5/c1-5-7-8-9-10-12-15(11-6-2)23-14-21-16-17(22(3)4)19-13-20-18(16)23/h13-15H,5-12H2,1-4H3
InChIKeyPNHILCAIQCNJOE-UHFFFAOYSA-N
XLogP4.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-9-tetradecan-7-ylpurin-6-amine
CID 154963905
9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine
CID 86016896
9-(1-azidododecan-3-yl)-6-chloropurine
CID 156697636
9-[(3R)-1-azidododecan-3-yl]-6-chloropurine
CID 164613868
3-undecan-4-ylimidazo[4,5-b]pyridine
CID 138744361
2-amino-9-tetradecan-7-yl-1H-purin-6-one
CID 137034322
(4R)-4-(6-bromopurin-9-yl)heptan-2-one
CID 102307708
9-(1-aminopentyl)purin-6-amine
CID 174938588
2-methylsulfanylethyl N-(9-nonan-5-ylpurin-6-yl)carbamate
CID 176574977
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
CID 155552908
3-[6-(dimethylamino)purin-9-yl]-2-hydroxypropanoic acid
CID 11230471
5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
CID 18687077

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-undecan-4-ylpurin-6-amine?
The IUPAC name of N,N-dimethyl-9-undecan-4-ylpurin-6-amine (CID 137470783) is N,N-dimethyl-9-undecan-4-ylpurin-6-amine.
What is the SMILES notation for N,N-dimethyl-9-undecan-4-ylpurin-6-amine?
The canonical SMILES for N,N-dimethyl-9-undecan-4-ylpurin-6-amine is CCCCCCCC(CCC)n1cnc2c(N(C)C)ncnc21.
What is the InChIKey of N,N-dimethyl-9-undecan-4-ylpurin-6-amine?
The InChIKey is PNHILCAIQCNJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-5-7-8-9-10-12-15(11-6-2)23-14-21-16-17(22(3)4)19-13-20-18(16)23/h13-15H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-9-undecan-4-ylpurin-6-amine?
N,N-dimethyl-9-undecan-4-ylpurin-6-amine has a molecular weight of 317.48 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-undecan-4-ylpurin-6-amine is sourced from PubChem (CID 137470783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).