3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol

C14H27N3O — CID 106284688

IUPAC3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
SMILESCCCn1cncc1CNCC(O)C(CC)CC
InChIInChI=1S/C14H27N3O/c1-4-7-17-11-16-9-13(17)8-15-10-14(18)12(5-2)6-3/h9,11-12,14-15,18H,4-8,10H2,1-3H3
InChIKeyMJLMLGRCKBCYSG-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.18
Rot. Bonds9

About 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol

3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol (PubChem CID 106284688) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
PubChem CID106284688
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
SMILESCCCn1cncc1CNCC(O)C(CC)CC
InChIInChI=1S/C14H27N3O/c1-4-7-17-11-16-9-13(17)8-15-10-14(18)12(5-2)6-3/h9,11-12,14-15,18H,4-8,10H2,1-3H3
InChIKeyMJLMLGRCKBCYSG-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
methyl 2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 114283727
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485
N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
CID 114167185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol (CID 106284688) is 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol is CCCn1cncc1CNCC(O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is MJLMLGRCKBCYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-17-11-16-9-13(17)8-15-10-14(18)12(5-2)6-3/h9,11-12,14-15,18H,4-8,10H2,1-3H3.
What are the key properties of 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol?
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106284688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).