N-methyl-12-trihydroxysilyldodecan-1-amine

C13H31NO3Si — CID 87686187

IUPACN-methyl-12-trihydroxysilyldodecan-1-amine
SMILESCNCCCCCCCCCCCC[Si](O)(O)O
InChIInChI=1S/C13H31NO3Si/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-18(15,16)17/h14-17H,2-13H2,1H3
InChIKeyMDQXPWFYNWNVOF-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.02
Rot. Bonds13

About N-methyl-12-trihydroxysilyldodecan-1-amine

N-methyl-12-trihydroxysilyldodecan-1-amine (PubChem CID 87686187) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is N-methyl-12-trihydroxysilyldodecan-1-amine.

Molecular Properties

Compound NameN-methyl-12-trihydroxysilyldodecan-1-amine
PubChem CID87686187
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC NameN-methyl-12-trihydroxysilyldodecan-1-amine
SMILESCNCCCCCCCCCCCC[Si](O)(O)O
InChIInChI=1S/C13H31NO3Si/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-18(15,16)17/h14-17H,2-13H2,1H3
InChIKeyMDQXPWFYNWNVOF-UHFFFAOYSA-N
XLogP2.02
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine
CID 172749427
N-methyl-3-trihydroxysilylpropan-1-amine;octadecan-1-amine;N'-octadecyl-N-propylmethanediamine;dihydrochloride
CID 175035811
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-methyltriacontan-1-amine
CID 19840895
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N-(2-trihydroxysilylethyl)octan-1-amine
CID 87683408
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N-methyloctan-1-amine;propan-1-ol
CID 88540071
10-(methylamino)decane-1,1-diol
CID 151651816

Frequently Asked Questions

What is the IUPAC name of N-methyl-12-trihydroxysilyldodecan-1-amine?
The IUPAC name of N-methyl-12-trihydroxysilyldodecan-1-amine (CID 87686187) is N-methyl-12-trihydroxysilyldodecan-1-amine.
What is the SMILES notation for N-methyl-12-trihydroxysilyldodecan-1-amine?
The canonical SMILES for N-methyl-12-trihydroxysilyldodecan-1-amine is CNCCCCCCCCCCCC[Si](O)(O)O.
What is the InChIKey of N-methyl-12-trihydroxysilyldodecan-1-amine?
The InChIKey is MDQXPWFYNWNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-18(15,16)17/h14-17H,2-13H2,1H3.
What are the key properties of N-methyl-12-trihydroxysilyldodecan-1-amine?
N-methyl-12-trihydroxysilyldodecan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 2.02, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-12-trihydroxysilyldodecan-1-amine is sourced from PubChem (CID 87686187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).