4-(1-trimethoxysilylpropylamino)heptan-3-ol

C13H31NO4Si — CID 87194972

IUPAC4-(1-trimethoxysilylpropylamino)heptan-3-ol
SMILESCCCC(NC(CC)[Si](OC)(OC)OC)C(O)CC
InChIInChI=1S/C13H31NO4Si/c1-7-10-11(12(15)8-2)14-13(9-3)19(16-4,17-5)18-6/h11-15H,7-10H2,1-6H3
InChIKeyFKWLRWRPMRHRTQ-UHFFFAOYSA-N
MW293.48 g/mol
LogP1.71
Rot. Bonds11

About 4-(1-trimethoxysilylpropylamino)heptan-3-ol

4-(1-trimethoxysilylpropylamino)heptan-3-ol (PubChem CID 87194972) has the molecular formula C13H31NO4Si and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-(1-trimethoxysilylpropylamino)heptan-3-ol.

Molecular Properties

Compound Name4-(1-trimethoxysilylpropylamino)heptan-3-ol
PubChem CID87194972
Molecular FormulaC13H31NO4Si
Molecular Weight293.48 g/mol
Exact Mass293.20
IUPAC Name4-(1-trimethoxysilylpropylamino)heptan-3-ol
SMILESCCCC(NC(CC)[Si](OC)(OC)OC)C(O)CC
InChIInChI=1S/C13H31NO4Si/c1-7-10-11(12(15)8-2)14-13(9-3)19(16-4,17-5)18-6/h11-15H,7-10H2,1-6H3
InChIKeyFKWLRWRPMRHRTQ-UHFFFAOYSA-N
XLogP1.71
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1-trimethoxysilylpropylamino)heptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-trimethoxysilylpropan-1-amine
CID 19607493
N-(1-trimethoxysilylpropyl)hexan-1-amine
CID 87290664
2-(1-trimethoxysilylpropylamino)butanedioic acid
CID 87880478
4-(ethylamino)hexan-3-ol
CID 130632244
(4R)-4-methylheptan-3-ol
CID 12799251
3-methoxyheptan-4-ol
CID 54045994
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol
CID 143612702
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
ethane;4-(methylamino)hexan-3-ol
CID 142067249
N-[bis(trimethoxysilyl)methyl]ethanamine
CID 174997773
4-iodoheptan-3-ol
CID 139645711

Frequently Asked Questions

What is the IUPAC name of 4-(1-trimethoxysilylpropylamino)heptan-3-ol?
The IUPAC name of 4-(1-trimethoxysilylpropylamino)heptan-3-ol (CID 87194972) is 4-(1-trimethoxysilylpropylamino)heptan-3-ol.
What is the SMILES notation for 4-(1-trimethoxysilylpropylamino)heptan-3-ol?
The canonical SMILES for 4-(1-trimethoxysilylpropylamino)heptan-3-ol is CCCC(NC(CC)[Si](OC)(OC)OC)C(O)CC.
What is the InChIKey of 4-(1-trimethoxysilylpropylamino)heptan-3-ol?
The InChIKey is FKWLRWRPMRHRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO4Si/c1-7-10-11(12(15)8-2)14-13(9-3)19(16-4,17-5)18-6/h11-15H,7-10H2,1-6H3.
What are the key properties of 4-(1-trimethoxysilylpropylamino)heptan-3-ol?
4-(1-trimethoxysilylpropylamino)heptan-3-ol has a molecular weight of 293.48 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethoxysilylpropylamino)heptan-3-ol is sourced from PubChem (CID 87194972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).