N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C17H27N7O — CID 119621339

IUPACN-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCNC1CCCCCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H27N7O/c1-24(17-15-16(21-11-20-15)22-12-23-17)10-14(25)19-9-8-18-13-6-4-2-3-5-7-13/h11-13,18H,2-10H2,1H3,(H,19,25)(H,20,21,22,23)
InChIKeyFFHNIAFPFAMSAX-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.22
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 119621339) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID119621339
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCNC1CCCCCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H27N7O/c1-24(17-15-16(21-11-20-15)22-12-23-17)10-14(25)19-9-8-18-13-6-4-2-3-5-7-13/h11-13,18H,2-10H2,1H3,(H,19,25)(H,20,21,22,23)
InChIKeyFFHNIAFPFAMSAX-UHFFFAOYSA-N
XLogP1.22
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51077841
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733304
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466655
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 124777152
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 154775389
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 119621339) is N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)NCCNC1CCCCCC1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is FFHNIAFPFAMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-24(17-15-16(21-11-20-15)22-12-23-17)10-14(25)19-9-8-18-13-6-4-2-3-5-7-13/h11-13,18H,2-10H2,1H3,(H,19,25)(H,20,21,22,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 119621339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).