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

C11H21N3 — CID 106718313

IUPACN-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine
SMILESCCCC(C)Cn1cnc(CNC)c1
InChIInChI=1S/C11H21N3/c1-4-5-10(2)7-14-8-11(6-12-3)13-9-14/h8-10,12H,4-7H2,1-3H3
InChIKeyRIEOICDWZUHSOX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds6

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

N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine (PubChem CID 106718313) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine
PubChem CID106718313
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine
SMILESCCCC(C)Cn1cnc(CNC)c1
InChIInChI=1S/C11H21N3/c1-4-5-10(2)7-14-8-11(6-12-3)13-9-14/h8-10,12H,4-7H2,1-3H3
InChIKeyRIEOICDWZUHSOX-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
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-(2-methylpentyl)imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine (CID 106718313) is N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine is CCCC(C)Cn1cnc(CNC)c1.
What is the InChIKey of N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine?
The InChIKey is RIEOICDWZUHSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-10(2)7-14-8-11(6-12-3)13-9-14/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine?
N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106718313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).