N-methyl-9-tetradecan-7-ylpurin-6-amine

C20H35N5 — CID 154963905

IUPACN-methyl-9-tetradecan-7-ylpurin-6-amine
SMILESCCCCCCCC(CCCCCC)n1cnc2c(NC)ncnc21
InChIInChI=1S/C20H35N5/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)25-16-24-18-19(21-3)22-15-23-20(18)25/h15-17H,4-14H2,1-3H3,(H,21,22,23)
InChIKeyTUPNXLBOBAWDDZ-UHFFFAOYSA-N
MW345.54 g/mol
LogP5.74
Rot. Bonds13

About N-methyl-9-tetradecan-7-ylpurin-6-amine

N-methyl-9-tetradecan-7-ylpurin-6-amine (PubChem CID 154963905) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is N-methyl-9-tetradecan-7-ylpurin-6-amine.

Molecular Properties

Compound NameN-methyl-9-tetradecan-7-ylpurin-6-amine
PubChem CID154963905
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC NameN-methyl-9-tetradecan-7-ylpurin-6-amine
SMILESCCCCCCCC(CCCCCC)n1cnc2c(NC)ncnc21
InChIInChI=1S/C20H35N5/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)25-16-24-18-19(21-3)22-15-23-20(18)25/h15-17H,4-14H2,1-3H3,(H,21,22,23)
InChIKeyTUPNXLBOBAWDDZ-UHFFFAOYSA-N
XLogP5.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-9-undecan-4-ylpurin-6-amine
CID 137470783
2-methylsulfanylethyl N-(9-nonan-5-ylpurin-6-yl)carbamate
CID 176574977
9-(1-azidododecan-3-yl)-6-chloropurine
CID 156697636
9-[(3R)-1-azidododecan-3-yl]-6-chloropurine
CID 164613868
9-ethyl-N-methylpurin-6-amine
CID 23389288
2-amino-9-tetradecan-7-yl-1H-purin-6-one
CID 137034322
3-undecan-4-ylimidazo[4,5-b]pyridine
CID 138744361
9-(1-aminopentyl)purin-6-amine
CID 174938588
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(6-chloropurin-9-yl)dodecanamide
CID 164612845
9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine
CID 164882038
9-butyl-N-cyclopropylpurin-6-amine
CID 10799535

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-tetradecan-7-ylpurin-6-amine?
The IUPAC name of N-methyl-9-tetradecan-7-ylpurin-6-amine (CID 154963905) is N-methyl-9-tetradecan-7-ylpurin-6-amine.
What is the SMILES notation for N-methyl-9-tetradecan-7-ylpurin-6-amine?
The canonical SMILES for N-methyl-9-tetradecan-7-ylpurin-6-amine is CCCCCCCC(CCCCCC)n1cnc2c(NC)ncnc21.
What is the InChIKey of N-methyl-9-tetradecan-7-ylpurin-6-amine?
The InChIKey is TUPNXLBOBAWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)25-16-24-18-19(21-3)22-15-23-20(18)25/h15-17H,4-14H2,1-3H3,(H,21,22,23).
What are the key properties of N-methyl-9-tetradecan-7-ylpurin-6-amine?
N-methyl-9-tetradecan-7-ylpurin-6-amine has a molecular weight of 345.54 g/mol, XLogP of 5.74, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-tetradecan-7-ylpurin-6-amine is sourced from PubChem (CID 154963905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).