6-trihydroxysilylhexane-2,4-diamine

C6H18N2O3Si — CID 87683486

IUPAC6-trihydroxysilylhexane-2,4-diamine
SMILESCC(N)CC(N)CC[Si](O)(O)O
InChIInChI=1S/C6H18N2O3Si/c1-5(7)4-6(8)2-3-12(9,10)11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyBSZVCGVZGUZXPF-UHFFFAOYSA-N
MW194.31 g/mol
LogP-1.64
Rot. Bonds5

About 6-trihydroxysilylhexane-2,4-diamine

6-trihydroxysilylhexane-2,4-diamine (PubChem CID 87683486) has the molecular formula C6H18N2O3Si and a molecular weight of 194.31 g/mol. Its IUPAC name is 6-trihydroxysilylhexane-2,4-diamine.

Molecular Properties

Compound Name6-trihydroxysilylhexane-2,4-diamine
PubChem CID87683486
Molecular FormulaC6H18N2O3Si
Molecular Weight194.31 g/mol
Exact Mass194.11
IUPAC Name6-trihydroxysilylhexane-2,4-diamine
SMILESCC(N)CC(N)CC[Si](O)(O)O
InChIInChI=1S/C6H18N2O3Si/c1-5(7)4-6(8)2-3-12(9,10)11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyBSZVCGVZGUZXPF-UHFFFAOYSA-N
XLogP-1.64
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

nonane-2,4,6,8-tetramine
CID 142330039
(2S,4R)-7,7-dimethoxyheptane-2,4-diamine
CID 11229262
hept-6-yne-2,4-diamine
CID 87584005
(5R)-hexane-2,5-diamine
CID 144618459
6,6,6-trifluorohexane-2,4-diamine
CID 118321950
4,6-dimethylnonane-2,8-diamine
CID 59264321
4-aminopentane-1,2-diol
CID 12701364
1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
1-dimethoxysilylpentane-2,4-diamine
CID 175182162
4,5-dimethylnon-8-en-2-amine
CID 123559752
(3S,5R)-5-amino-3,8-dimethylnonanoic acid
CID 125425710
8-[butyl(dihydroxy)silyl]octan-2-amine
CID 87684137

Frequently Asked Questions

What is the IUPAC name of 6-trihydroxysilylhexane-2,4-diamine?
The IUPAC name of 6-trihydroxysilylhexane-2,4-diamine (CID 87683486) is 6-trihydroxysilylhexane-2,4-diamine.
What is the SMILES notation for 6-trihydroxysilylhexane-2,4-diamine?
The canonical SMILES for 6-trihydroxysilylhexane-2,4-diamine is CC(N)CC(N)CC[Si](O)(O)O.
What is the InChIKey of 6-trihydroxysilylhexane-2,4-diamine?
The InChIKey is BSZVCGVZGUZXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N2O3Si/c1-5(7)4-6(8)2-3-12(9,10)11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 6-trihydroxysilylhexane-2,4-diamine?
6-trihydroxysilylhexane-2,4-diamine has a molecular weight of 194.31 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trihydroxysilylhexane-2,4-diamine is sourced from PubChem (CID 87683486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).