N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine

C8H21NO2Si — CID 87680821

IUPACN-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine
SMILESCCCCCNC[Si](O)(O)CC
InChIInChI=1S/C8H21NO2Si/c1-3-5-6-7-9-8-12(10,11)4-2/h9-11H,3-8H2,1-2H3
InChIKeyDWLMNYJDFSWPKS-UHFFFAOYSA-N
MW191.35 g/mol
LogP0.75
Rot. Bonds7

About N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine

N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine (PubChem CID 87680821) has the molecular formula C8H21NO2Si and a molecular weight of 191.35 g/mol. Its IUPAC name is N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine
PubChem CID87680821
Molecular FormulaC8H21NO2Si
Molecular Weight191.35 g/mol
Exact Mass191.13
IUPAC NameN-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine
SMILESCCCCCNC[Si](O)(O)CC
InChIInChI=1S/C8H21NO2Si/c1-3-5-6-7-9-8-12(10,11)4-2/h9-11H,3-8H2,1-2H3
InChIKeyDWLMNYJDFSWPKS-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.35
LogP ≤ 50.75
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'}

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Related Compounds

N-[[hydroxy(dimethyl)silyl]methyl]butan-1-amine
CID 23126648
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(2-trihydroxysilylethyl)octan-1-amine
CID 87683408
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-butyltetradecan-1-amine
CID 3548872

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine?
The IUPAC name of N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine (CID 87680821) is N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine?
The canonical SMILES for N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine is CCCCCNC[Si](O)(O)CC.
What is the InChIKey of N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine?
The InChIKey is DWLMNYJDFSWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2Si/c1-3-5-6-7-9-8-12(10,11)4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine?
N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine has a molecular weight of 191.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(dihydroxy)silyl]methyl]pentan-1-amine is sourced from PubChem (CID 87680821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).