N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine

C11H19N3 — CID 42776872

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
SMILESCc1[nH]cnc1CNC1CCCCC1
InChIInChI=1S/C11H19N3/c1-9-11(14-8-13-9)7-12-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyZRRMVDUJAKTXRJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.14
Rot. Bonds3

About N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine (PubChem CID 42776872) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
PubChem CID42776872
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
SMILESCc1[nH]cnc1CNC1CCCCC1
InChIInChI=1S/C11H19N3/c1-9-11(14-8-13-9)7-12-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyZRRMVDUJAKTXRJ-UHFFFAOYSA-N
XLogP2.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine (CID 42776872) is N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine is Cc1[nH]cnc1CNC1CCCCC1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine?
The InChIKey is ZRRMVDUJAKTXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-11(14-8-13-9)7-12-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine has a molecular weight of 193.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 42776872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).