2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine

C15H29N3O — CID 106720260

IUPAC2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CCOCCn1cnc(CNCC(C)C)c1
InChIInChI=1S/C15H29N3O/c1-13(2)5-7-19-8-6-18-11-15(17-12-18)10-16-9-14(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyMXBUNMHYETVHDY-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.69
Rot. Bonds10

About 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106720260) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106720260
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CCOCCn1cnc(CNCC(C)C)c1
InChIInChI=1S/C15H29N3O/c1-13(2)5-7-19-8-6-18-11-15(17-12-18)10-16-9-14(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyMXBUNMHYETVHDY-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine (CID 106720260) is 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine is CC(C)CCOCCn1cnc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is MXBUNMHYETVHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)5-7-19-8-6-18-11-15(17-12-18)10-16-9-14(3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106720260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).