3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine

C14H21N5 — CID 135592801

IUPAC3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
SMILESCC/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C14H21N5/c1-2-15-13-12-14(17-9-16-12)19(10-18-13)8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)/b15-13-
InChIKeyOJDCGCGRUXFUPB-SQFISAMPSA-N
MW259.36 g/mol
LogP2.26
Rot. Bonds3

About 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine

3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine (PubChem CID 135592801) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
PubChem CID135592801
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
SMILESCC/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C14H21N5/c1-2-15-13-12-14(17-9-16-12)19(10-18-13)8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)/b15-13-
InChIKeyOJDCGCGRUXFUPB-SQFISAMPSA-N
XLogP2.26
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-7H-purin-6-imine
CID 135435073
3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride
CID 135731686
3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine
CID 135731706
3-(cyclohexylmethyl)-1-methyl-7H-purine-2,6-dione
CID 3076822
N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740717
1,3-bis(2-cyclohexylethyl)-7H-purine-2,6-dione
CID 141056104
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793
3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
CID 22506520
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
1-(cyclopropylmethyl)-5-methylimidazol-4-amine
CID 118309548
3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 141207722
4-bromo-3-(cyclohexylmethyl)benzimidazol-5-amine
CID 18379827

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
The IUPAC name of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine (CID 135592801) is 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine.
What is the SMILES notation for 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
The canonical SMILES for 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine is CC/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12.
What is the InChIKey of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
The InChIKey is OJDCGCGRUXFUPB-SQFISAMPSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-15-13-12-14(17-9-16-12)19(10-18-13)8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)/b15-13-.
What are the key properties of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine has a molecular weight of 259.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine is sourced from PubChem (CID 135592801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).