3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine

C9H19N3O3Si — CID 147408863

IUPAC3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESCO[Si](O)(CCCNCc1ncc[nH]1)OC
InChIInChI=1S/C9H19N3O3Si/c1-14-16(13,15-2)7-3-4-10-8-9-11-5-6-12-9/h5-6,10,13H,3-4,7-8H2,1-2H3,(H,11,12)
InChIKeyDQFCQTYKIXQGBM-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.11
Rot. Bonds8

About 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine

3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine (PubChem CID 147408863) has the molecular formula C9H19N3O3Si and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
PubChem CID147408863
Molecular FormulaC9H19N3O3Si
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESCO[Si](O)(CCCNCc1ncc[nH]1)OC
InChIInChI=1S/C9H19N3O3Si/c1-14-16(13,15-2)7-3-4-10-8-9-11-5-6-12-9/h5-6,10,13H,3-4,7-8H2,1-2H3,(H,11,12)
InChIKeyDQFCQTYKIXQGBM-UHFFFAOYSA-N
XLogP0.11
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 106840602
N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115608422
3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol
CID 111467371
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
2-ethylsulfinyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115632381
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)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119111479
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine (CID 147408863) is 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine is CO[Si](O)(CCCNCc1ncc[nH]1)OC.
What is the InChIKey of 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The InChIKey is DQFCQTYKIXQGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3Si/c1-14-16(13,15-2)7-3-4-10-8-9-11-5-6-12-9/h5-6,10,13H,3-4,7-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 147408863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).