N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

C11H19N3O — CID 62742128

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1[nH]cnc1CNCC1CCCCO1
InChIInChI=1S/C11H19N3O/c1-9-11(14-8-13-9)7-12-6-10-4-2-3-5-15-10/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyKTICRJSSEOJAKB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds4

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

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 62742128) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID62742128
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1[nH]cnc1CNCC1CCCCO1
InChIInChI=1S/C11H19N3O/c1-9-11(14-8-13-9)7-12-6-10-4-2-3-5-15-10/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyKTICRJSSEOJAKB-UHFFFAOYSA-N
XLogP1.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (CID 62742128) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1[nH]cnc1CNCC1CCCCO1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is KTICRJSSEOJAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-11(14-8-13-9)7-12-6-10-4-2-3-5-15-10/h8,10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 62742128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).