N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine

C15H19N3 — CID 65404488

IUPACN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(C2CCc3ccccc3C2)[nH]1
InChIInChI=1S/C15H19N3/c1-16-9-14-10-17-15(18-14)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyFDCLSJFFIQJDQN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine

N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 65404488) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
PubChem CID65404488
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(C2CCc3ccccc3C2)[nH]1
InChIInChI=1S/C15H19N3/c1-16-9-14-10-17-15(18-14)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyFDCLSJFFIQJDQN-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine (CID 65404488) is N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(C2CCc3ccccc3C2)[nH]1.
What is the InChIKey of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is FDCLSJFFIQJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-9-14-10-17-15(18-14)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 65404488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).