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

C11H19N3 — CID 66037137

IUPACN-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine
SMILESC=C(CC)Cn1c(CNC)cnc1C
InChIInChI=1S/C11H19N3/c1-5-9(2)8-14-10(3)13-7-11(14)6-12-4/h7,12H,2,5-6,8H2,1,3-4H3
InChIKeyJKINUOBSVHMFSC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.88
Rot. Bonds5

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

N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine (PubChem CID 66037137) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine
PubChem CID66037137
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine
SMILESC=C(CC)Cn1c(CNC)cnc1C
InChIInChI=1S/C11H19N3/c1-5-9(2)8-14-10(3)13-7-11(14)6-12-4/h7,12H,2,5-6,8H2,1,3-4H3
InChIKeyJKINUOBSVHMFSC-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine (CID 66037137) is N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine is C=C(CC)Cn1c(CNC)cnc1C.
What is the InChIKey of N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine?
The InChIKey is JKINUOBSVHMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-9(2)8-14-10(3)13-7-11(14)6-12-4/h7,12H,2,5-6,8H2,1,3-4H3.
What are the key properties of N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine?
N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 66037137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).