2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol

C15H29N3O — CID 64811296

IUPAC2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1ccnc1C(C)C
InChIInChI=1S/C15H29N3O/c1-5-8-17-15(4,12-19)7-6-10-18-11-9-16-14(18)13(2)3/h9,11,13,17,19H,5-8,10,12H2,1-4H3
InChIKeyWCPMHTMDSOZVOY-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.54
Rot. Bonds9

About 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol

2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol (PubChem CID 64811296) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
PubChem CID64811296
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1ccnc1C(C)C
InChIInChI=1S/C15H29N3O/c1-5-8-17-15(4,12-19)7-6-10-18-11-9-16-14(18)13(2)3/h9,11,13,17,19H,5-8,10,12H2,1-4H3
InChIKeyWCPMHTMDSOZVOY-UHFFFAOYSA-N
XLogP2.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.54
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)pentan-1-ol
CID 106810004
1-butyl-2-propan-2-ylimidazole
CID 11506521
2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
CID 64810048
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
2-ethyl-2-(propylamino)-5-(2-propylimidazol-1-yl)pentan-1-ol
CID 106809992
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806567
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806562
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
2-(cyclopropylamino)-5-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64809678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol (CID 64811296) is 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCn1ccnc1C(C)C.
What is the InChIKey of 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol?
The InChIKey is WCPMHTMDSOZVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-17-15(4,12-19)7-6-10-18-11-9-16-14(18)13(2)3/h9,11,13,17,19H,5-8,10,12H2,1-4H3.
What are the key properties of 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol?
2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64811296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).