2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine

C14H27N3O — CID 116761341

IUPAC2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1nccn1C)C(CC)(CC)OC
InChIInChI=1S/C14H27N3O/c1-6-9-15-12(13-16-10-11-17(13)4)14(7-2,8-3)18-5/h10-12,15H,6-9H2,1-5H3
InChIKeyBCBGMANQXKOWJC-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.67
Rot. Bonds8

About 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine

2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine (PubChem CID 116761341) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
PubChem CID116761341
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1nccn1C)C(CC)(CC)OC
InChIInChI=1S/C14H27N3O/c1-6-9-15-12(13-16-10-11-17(13)4)14(7-2,8-3)18-5/h10-12,15H,6-9H2,1-5H3
InChIKeyBCBGMANQXKOWJC-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148770

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine (CID 116761341) is 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine is CCCNC(c1nccn1C)C(CC)(CC)OC.
What is the InChIKey of 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The InChIKey is BCBGMANQXKOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-9-15-12(13-16-10-11-17(13)4)14(7-2,8-3)18-5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 116761341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).