N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine

C14H22N6 — CID 133491700

IUPACN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
SMILESCN(C)CC1(CNc2ncnc3nc[nH]c23)CCCC1
InChIInChI=1S/C14H22N6/c1-20(2)8-14(5-3-4-6-14)7-15-12-11-13(17-9-16-11)19-10-18-12/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyZYZUUVBUQIROAQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.89
Rot. Bonds5

About N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine (PubChem CID 133491700) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
PubChem CID133491700
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
SMILESCN(C)CC1(CNc2ncnc3nc[nH]c23)CCCC1
InChIInChI=1S/C14H22N6/c1-20(2)8-14(5-3-4-6-14)7-15-12-11-13(17-9-16-11)19-10-18-12/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyZYZUUVBUQIROAQ-UHFFFAOYSA-N
XLogP1.89
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine (CID 133491700) is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine is CN(C)CC1(CNc2ncnc3nc[nH]c23)CCCC1.
What is the InChIKey of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine?
The InChIKey is ZYZUUVBUQIROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-20(2)8-14(5-3-4-6-14)7-15-12-11-13(17-9-16-11)19-10-18-12/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine?
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine has a molecular weight of 274.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 133491700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).