4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine

C14H27N3O — CID 103036018

IUPAC4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cncn1C
InChIInChI=1S/C14H27N3O/c1-6-9-16-12(7-8-14(2,3)18-5)13-10-15-11-17(13)4/h10-12,16H,6-9H2,1-5H3
InChIKeyHSWJJKKQKBDASL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.67
Rot. Bonds8

About 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine (PubChem CID 103036018) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
PubChem CID103036018
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cncn1C
InChIInChI=1S/C14H27N3O/c1-6-9-16-12(7-8-14(2,3)18-5)13-10-15-11-17(13)4/h10-12,16H,6-9H2,1-5H3
InChIKeyHSWJJKKQKBDASL-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine (CID 103036018) is 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cncn1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
The InChIKey is HSWJJKKQKBDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-9-16-12(7-8-14(2,3)18-5)13-10-15-11-17(13)4/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-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 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103036018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).