3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol

C13H25N3O — CID 106811445

IUPAC3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCn1ccnc1C(C)C
InChIInChI=1S/C13H25N3O/c1-4-13(17,10-14)6-5-8-16-9-7-15-12(16)11(2)3/h7,9,11,17H,4-6,8,10,14H2,1-3H3
InChIKeyUXNKVOHSHAIDTL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds7

About 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol

3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol (PubChem CID 106811445) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
PubChem CID106811445
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCn1ccnc1C(C)C
InChIInChI=1S/C13H25N3O/c1-4-13(17,10-14)6-5-8-16-9-7-15-12(16)11(2)3/h7,9,11,17H,4-6,8,10,14H2,1-3H3
InChIKeyUXNKVOHSHAIDTL-UHFFFAOYSA-N
XLogP1.89
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-butyl-2-propan-2-ylimidazole
CID 11506521
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol
CID 106810004
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806567
2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806562
3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol
CID 106811441
2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
CID 64811296
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol (CID 106811445) is 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol is CCC(O)(CN)CCCn1ccnc1C(C)C.
What is the InChIKey of 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol?
The InChIKey is UXNKVOHSHAIDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-13(17,10-14)6-5-8-16-9-7-15-12(16)11(2)3/h7,9,11,17H,4-6,8,10,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol?
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol has a molecular weight of 239.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol is sourced from PubChem (CID 106811445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).