N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine

C15H27N3 — CID 115859986

IUPACN-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCNC(c1nccn1C)C1(CC(C)C)CCCC1
InChIInChI=1S/C15H27N3/c1-12(2)11-15(7-5-6-8-15)13(16-3)14-17-9-10-18(14)4/h9-10,12-13,16H,5-8,11H2,1-4H3
InChIKeyBVUDGHGQVHJVEP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds5

About N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine

N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine (PubChem CID 115859986) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine
PubChem CID115859986
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCNC(c1nccn1C)C1(CC(C)C)CCCC1
InChIInChI=1S/C15H27N3/c1-12(2)11-15(7-5-6-8-15)13(16-3)14-17-9-10-18(14)4/h9-10,12-13,16H,5-8,11H2,1-4H3
InChIKeyBVUDGHGQVHJVEP-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine (CID 115859986) is N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine is CNC(c1nccn1C)C1(CC(C)C)CCCC1.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
The InChIKey is BVUDGHGQVHJVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)11-15(7-5-6-8-15)13(16-3)14-17-9-10-18(14)4/h9-10,12-13,16H,5-8,11H2,1-4H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine is sourced from PubChem (CID 115859986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).