N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine

C13H19N5 — CID 114401934

IUPACN-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine
SMILESCNC1(Cc2nc3ncncc3[nH]2)CCCCC1
InChIInChI=1S/C13H19N5/c1-14-13(5-3-2-4-6-13)7-11-17-10-8-15-9-16-12(10)18-11/h8-9,14H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyPZCGGNFLNBYQIM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.82
Rot. Bonds3

About N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine

N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine (PubChem CID 114401934) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine
PubChem CID114401934
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine
SMILESCNC1(Cc2nc3ncncc3[nH]2)CCCCC1
InChIInChI=1S/C13H19N5/c1-14-13(5-3-2-4-6-13)7-11-17-10-8-15-9-16-12(10)18-11/h8-9,14H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyPZCGGNFLNBYQIM-UHFFFAOYSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine (CID 114401934) is N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine is CNC1(Cc2nc3ncncc3[nH]2)CCCCC1.
What is the InChIKey of N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine?
The InChIKey is PZCGGNFLNBYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-14-13(5-3-2-4-6-13)7-11-17-10-8-15-9-16-12(10)18-11/h8-9,14H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine?
N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 114401934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).