3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride

C27H60ClNO3Si — CID 173229725

IUPAC3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride
SMILESCCCCCCCCCCC(CCCCCCCCCC)(CCNC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C27H59NO3Si.ClH/c1-7-9-11-13-15-17-19-21-23-27(25-26-28-3,32(29-4,30-5)31-6)24-22-20-18-16-14-12-10-8-2;/h28H,7-26H2,1-6H3;1H
InChIKeyVTSXNYKAICCZKA-UHFFFAOYSA-N
MW510.32 g/mol
LogP8.70
Rot. Bonds25

About 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride

3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride (PubChem CID 173229725) has the molecular formula C27H60ClNO3Si and a molecular weight of 510.32 g/mol. Its IUPAC name is 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride
PubChem CID173229725
Molecular FormulaC27H60ClNO3Si
Molecular Weight510.32 g/mol
Exact Mass509.40
IUPAC Name3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride
SMILESCCCCCCCCCCC(CCCCCCCCCC)(CCNC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C27H59NO3Si.ClH/c1-7-9-11-13-15-17-19-21-23-27(25-26-28-3,32(29-4,30-5)31-6)24-22-20-18-16-14-12-10-8-2;/h28H,7-26H2,1-6H3;1H
InChIKeyVTSXNYKAICCZKA-UHFFFAOYSA-N
XLogP8.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.32
LogP ≤ 58.70
H-Bond Donors ≤ 51
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

trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
4-trimethoxysilylhenicosan-4-amine;hydrochloride
CID 174053760
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methyltriacontan-1-amine
CID 19840895
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
CID 87595580
1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
CID 156901116
3-methyl-1-(methylamino)pentadecane-3-sulfonic acid
CID 141244071
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005

Frequently Asked Questions

What is the IUPAC name of 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride?
The IUPAC name of 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride (CID 173229725) is 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride.
What is the SMILES notation for 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride?
The canonical SMILES for 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride is CCCCCCCCCCC(CCCCCCCCCC)(CCNC)[Si](OC)(OC)OC.Cl.
What is the InChIKey of 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride?
The InChIKey is VTSXNYKAICCZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59NO3Si.ClH/c1-7-9-11-13-15-17-19-21-23-27(25-26-28-3,32(29-4,30-5)31-6)24-22-20-18-16-14-12-10-8-2;/h28H,7-26H2,1-6H3;1H.
What are the key properties of 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride?
3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride has a molecular weight of 510.32 g/mol, XLogP of 8.70, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride is sourced from PubChem (CID 173229725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).