2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol

C14H27N3O — CID 106810004

IUPAC2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol
SMILESCCC(CO)(CCCn1ccnc1C(C)C)NC
InChIInChI=1S/C14H27N3O/c1-5-14(11-18,15-4)7-6-9-17-10-8-16-13(17)12(2)3/h8,10,12,15,18H,5-7,9,11H2,1-4H3
InChIKeyCWPDISGWKZCLNP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol

2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol (PubChem CID 106810004) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol
PubChem CID106810004
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol
SMILESCCC(CO)(CCCn1ccnc1C(C)C)NC
InChIInChI=1S/C14H27N3O/c1-5-14(11-18,15-4)7-6-9-17-10-8-16-13(17)12(2)3/h8,10,12,15,18H,5-7,9,11H2,1-4H3
InChIKeyCWPDISGWKZCLNP-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806567
2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
CID 64811296
2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806562
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
1-butyl-2-propan-2-ylimidazole
CID 11506521
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
CID 64810048
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
2-ethyl-2-(propylamino)-5-(2-propylimidazol-1-yl)pentan-1-ol
CID 106809992
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol (CID 106810004) is 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol is CCC(CO)(CCCn1ccnc1C(C)C)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol?
The InChIKey is CWPDISGWKZCLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-14(11-18,15-4)7-6-9-17-10-8-16-13(17)12(2)3/h8,10,12,15,18H,5-7,9,11H2,1-4H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol?
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol is sourced from PubChem (CID 106810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).