N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine

C15H29N3O — CID 114531438

IUPACN-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
SMILESCCCC(C)(CCc1nccn1C)CNCCOC
InChIInChI=1S/C15H29N3O/c1-5-7-15(2,13-16-10-12-19-4)8-6-14-17-9-11-18(14)3/h9,11,16H,5-8,10,12-13H2,1-4H3
InChIKeyXLFARTCNDMZMOJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.40
Rot. Bonds10

About N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine

N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine (PubChem CID 114531438) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
PubChem CID114531438
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
SMILESCCCC(C)(CCc1nccn1C)CNCCOC
InChIInChI=1S/C15H29N3O/c1-5-7-15(2,13-16-10-12-19-4)8-6-14-17-9-11-18(14)3/h9,11,16H,5-8,10,12-13H2,1-4H3
InChIKeyXLFARTCNDMZMOJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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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Related Compounds

2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine
CID 102640713
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
N-(2-methoxyethyl)-3-(1-propylimidazol-2-yl)propan-1-amine
CID 64502833
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine
CID 114531489
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine (CID 114531438) is N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine is CCCC(C)(CCc1nccn1C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
The InChIKey is XLFARTCNDMZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-7-15(2,13-16-10-12-19-4)8-6-14-17-9-11-18(14)3/h9,11,16H,5-8,10,12-13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 114531438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).