N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine

C7H17NO2Si — CID 87683429

IUPACN-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine
SMILESC=CCNC[Si](O)(O)CCC
InChIInChI=1S/C7H17NO2Si/c1-3-5-8-7-11(9,10)6-4-2/h3,8-10H,1,4-7H2,2H3
InChIKeyTUBVUCICLRTART-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.14
Rot. Bonds6

About N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine

N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine (PubChem CID 87683429) has the molecular formula C7H17NO2Si and a molecular weight of 175.30 g/mol. Its IUPAC name is N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine
PubChem CID87683429
Molecular FormulaC7H17NO2Si
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine
SMILESC=CCNC[Si](O)(O)CCC
InChIInChI=1S/C7H17NO2Si/c1-3-5-8-7-11(9,10)6-4-2/h3,8-10H,1,4-7H2,2H3
InChIKeyTUBVUCICLRTART-UHFFFAOYSA-N
XLogP0.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine (CID 87683429) is N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine is C=CCNC[Si](O)(O)CCC.
What is the InChIKey of N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine?
The InChIKey is TUBVUCICLRTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2Si/c1-3-5-8-7-11(9,10)6-4-2/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine?
N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine has a molecular weight of 175.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 87683429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).