N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

C15H22N6O3 — CID 119564945

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)NC1(CN)CCCC1)c(=O)n2C
InChIInChI=1S/C15H22N6O3/c1-19-9-17-12-11(19)13(23)21(14(24)20(12)2)7-10(22)18-15(8-16)5-3-4-6-15/h9H,3-8,16H2,1-2H3,(H,18,22)
InChIKeyGHWSERDBZZBYSX-UHFFFAOYSA-N
MW334.38 g/mol
LogP-1.18
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide (PubChem CID 119564945) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
PubChem CID119564945
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)NC1(CN)CCCC1)c(=O)n2C
InChIInChI=1S/C15H22N6O3/c1-19-9-17-12-11(19)13(23)21(14(24)20(12)2)7-10(22)18-15(8-16)5-3-4-6-15/h9H,3-8,16H2,1-2H3,(H,18,22)
InChIKeyGHWSERDBZZBYSX-UHFFFAOYSA-N
XLogP-1.18
TPSA116.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide (CID 119564945) is N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is Cn1cnc2c1c(=O)n(CC(=O)NC1(CN)CCCC1)c(=O)n2C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The InChIKey is GHWSERDBZZBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-19-9-17-12-11(19)13(23)21(14(24)20(12)2)7-10(22)18-15(8-16)5-3-4-6-15/h9H,3-8,16H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is sourced from PubChem (CID 119564945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).