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

C15H29N3O — CID 62222724

IUPAC2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)CCOCCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)6-10-19-11-9-18-8-7-16-14(18)12-17-15(3,4)5/h7-8,13,17H,6,9-12H2,1-5H3
InChIKeyKTIVASKERVGQHT-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.83
Rot. Bonds8

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

2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62222724) 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-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID62222724
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)CCOCCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)6-10-19-11-9-18-8-7-16-14(18)12-17-15(3,4)5/h7-8,13,17H,6,9-12H2,1-5H3
InChIKeyKTIVASKERVGQHT-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.83
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-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine (CID 62222724) is 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine is CC(C)CCOCCn1ccnc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is KTIVASKERVGQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)6-10-19-11-9-18-8-7-16-14(18)12-17-15(3,4)5/h7-8,13,17H,6,9-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.83, 8 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-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62222724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).