N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine

C11H17N5 — CID 135921192

IUPACN-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine
SMILESCN1C=NC2/C(=N/C3CCCC3)NC=NC21
InChIInChI=1S/C11H17N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-9,11H,2-5H2,1H3,(H,12,13,15)
InChIKeyQIXIBVNYHPVTHM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.63
Rot. Bonds1

About N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine

N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine (PubChem CID 135921192) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine.

Molecular Properties

Compound NameN-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine
PubChem CID135921192
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine
SMILESCN1C=NC2/C(=N/C3CCCC3)NC=NC21
InChIInChI=1S/C11H17N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-9,11H,2-5H2,1H3,(H,12,13,15)
InChIKeyQIXIBVNYHPVTHM-UHFFFAOYSA-N
XLogP0.63
TPSA52.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-9-methyl-4,5-dihydro-3H-purin-6-imine
CID 176530159
9-Cyclopentyl-2,3,4,5-tetrahydropurin-6-amine
CID 58766600
6-propyl-2,5,6,9-tetrahydro-1H-purine
CID 163527698
N-tert-butyl-9-methyl-4,5-dihydro-1H-purin-6-imine
CID 166497219
9-methyl-4,5-dihydro-1H-purin-6-imine
CID 176527559
N~2~-Butyl-N~2~-methyl-5H-purine-2,6-diamine
CID 53437660
N'-cyclopentyl-N'-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79503131
N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine
CID 79504548
4-(3,5-dihydropurin-6-ylideneamino)-N,N-diethylpentan-1-amine
CID 135747545
N-butyl-N-[3-(3,5-dihydropurin-6-ylideneamino)propyl]butan-1-amine
CID 135747549
N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine
CID 135754494
2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine
CID 135754500

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine?
The IUPAC name of N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine (CID 135921192) is N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine.
What is the SMILES notation for N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine?
The canonical SMILES for N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine is CN1C=NC2/C(=N/C3CCCC3)NC=NC21.
What is the InChIKey of N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine?
The InChIKey is QIXIBVNYHPVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-9,11H,2-5H2,1H3,(H,12,13,15).
What are the key properties of N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine?
N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine has a molecular weight of 219.29 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-methyl-4,5-dihydro-1H-purin-6-imine is sourced from PubChem (CID 135921192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).