N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine

C13H25N3O — CID 103034949

IUPACN-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCOC(C)(C)CCn1ccnc1CNC(C)C
InChIInChI=1S/C13H25N3O/c1-11(2)15-10-12-14-7-9-16(12)8-6-13(3,4)17-5/h7,9,11,15H,6,8,10H2,1-5H3
InChIKeyHEUWIHBTSRUQPR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.20
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine

N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 103034949) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID103034949
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCOC(C)(C)CCn1ccnc1CNC(C)C
InChIInChI=1S/C13H25N3O/c1-11(2)15-10-12-14-7-9-16(12)8-6-13(3,4)17-5/h7,9,11,15H,6,8,10H2,1-5H3
InChIKeyHEUWIHBTSRUQPR-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine (CID 103034949) is N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine is COC(C)(C)CCn1ccnc1CNC(C)C.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is HEUWIHBTSRUQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)15-10-12-14-7-9-16(12)8-6-13(3,4)17-5/h7,9,11,15H,6,8,10H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine?
N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103034949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).