N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine

C11H21N3 — CID 66148631

IUPACN-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
SMILESCCC(C(C)C)n1cncc1CNC
InChIInChI=1S/C11H21N3/c1-5-11(9(2)3)14-8-13-7-10(14)6-12-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyMJYGJBYMNWJPNT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine

N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine (PubChem CID 66148631) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
PubChem CID66148631
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
SMILESCCC(C(C)C)n1cncc1CNC
InChIInChI=1S/C11H21N3/c1-5-11(9(2)3)14-8-13-7-10(14)6-12-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyMJYGJBYMNWJPNT-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine (CID 66148631) is N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine is CCC(C(C)C)n1cncc1CNC.
What is the InChIKey of N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine?
The InChIKey is MJYGJBYMNWJPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-11(9(2)3)14-8-13-7-10(14)6-12-4/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine?
N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 66148631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).