5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol

C11H21N3O — CID 111467371

IUPAC5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCNCc1ncc[nH]1
InChIInChI=1S/C11H21N3O/c1-11(2,9-15)4-3-5-12-8-10-13-6-7-14-10/h6-7,12,15H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyIOHZNPKQFYRKPS-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.30
Rot. Bonds7

About 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol

5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol (PubChem CID 111467371) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol
PubChem CID111467371
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCNCc1ncc[nH]1
InChIInChI=1S/C11H21N3O/c1-11(2,9-15)4-3-5-12-8-10-13-6-7-14-10/h6-7,12,15H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyIOHZNPKQFYRKPS-UHFFFAOYSA-N
XLogP1.30
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 106840602
3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119111479
3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 147408863
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115618886
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794
N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
CID 119111442
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115608422
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol (CID 111467371) is 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol is CC(C)(CO)CCCNCc1ncc[nH]1.
What is the InChIKey of 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol?
The InChIKey is IOHZNPKQFYRKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,9-15)4-3-5-12-8-10-13-6-7-14-10/h6-7,12,15H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol?
5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 111467371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).