2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol

C15H27N3O — CID 79051803

IUPAC2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
SMILESCCn1ccnc1C(O)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H27N3O/c1-4-17-12-9-16-14(17)13(19)15(2,3)18-10-7-5-6-8-11-18/h9,12-13,19H,4-8,10-11H2,1-3H3
InChIKeyLPFAVWQZYUSGPO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.59
Rot. Bonds4

About 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol

2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol (PubChem CID 79051803) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
PubChem CID79051803
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
SMILESCCn1ccnc1C(O)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H27N3O/c1-4-17-12-9-16-14(17)13(19)15(2,3)18-10-7-5-6-8-11-18/h9,12-13,19H,4-8,10-11H2,1-3H3
InChIKeyLPFAVWQZYUSGPO-UHFFFAOYSA-N
XLogP2.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056883
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051819
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-ol
CID 79063348
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79067835
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051030
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79050671
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol (CID 79051803) is 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol is CCn1ccnc1C(O)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol?
The InChIKey is LPFAVWQZYUSGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-17-12-9-16-14(17)13(19)15(2,3)18-10-7-5-6-8-11-18/h9,12-13,19H,4-8,10-11H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol?
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 79051803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).