2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine

C22H41NOSi — CID 68774959

IUPAC2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine
SMILESCCCCCCCCCC(COC)(Cc1ccccc1)N[Si](C)(C)C
InChIInChI=1S/C22H41NOSi/c1-6-7-8-9-10-11-15-18-22(20-24-2,23-25(3,4)5)19-21-16-13-12-14-17-21/h12-14,16-17,23H,6-11,15,18-20H2,1-5H3
InChIKeyZGRMSAHLSJCTLM-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.18
Rot. Bonds14

About 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine

2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine (PubChem CID 68774959) has the molecular formula C22H41NOSi and a molecular weight of 363.66 g/mol. Its IUPAC name is 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine
PubChem CID68774959
Molecular FormulaC22H41NOSi
Molecular Weight363.66 g/mol
Exact Mass363.30
IUPAC Name2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine
SMILESCCCCCCCCCC(COC)(Cc1ccccc1)N[Si](C)(C)C
InChIInChI=1S/C22H41NOSi/c1-6-7-8-9-10-11-15-18-22(20-24-2,23-25(3,4)5)19-21-16-13-12-14-17-21/h12-14,16-17,23H,6-11,15,18-20H2,1-5H3
InChIKeyZGRMSAHLSJCTLM-UHFFFAOYSA-N
XLogP6.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.66
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461
methyl 2-benzyl-2-trimethylsilylheptanoate
CID 14569484
(2-chloro-2-nonyldodecyl)benzene
CID 142488701
2,2-diethylundecylbenzene
CID 151975771
8-benzylpentadecan-8-ol
CID 13016086
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
[2-(3-benzyl-2-methylheptadec-1-en-3-yl)oxy-2-prop-1-en-2-ylhexadecyl]benzene
CID 141409115
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
[2-(2-ethoxypropan-2-yl)-2,3,3,4,4-pentafluorodecyl]benzene
CID 150326178
2,2-dibenzyltetradecanoic acid
CID 174897332
1-methoxy-2-phenylheptan-2-ol
CID 103465294
3-(benzylamino)-3-undecylpentane-1,5-diol
CID 19864613

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine?
The IUPAC name of 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine (CID 68774959) is 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine.
What is the SMILES notation for 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine?
The canonical SMILES for 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine is CCCCCCCCCC(COC)(Cc1ccccc1)N[Si](C)(C)C.
What is the InChIKey of 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine?
The InChIKey is ZGRMSAHLSJCTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NOSi/c1-6-7-8-9-10-11-15-18-22(20-24-2,23-25(3,4)5)19-21-16-13-12-14-17-21/h12-14,16-17,23H,6-11,15,18-20H2,1-5H3.
What are the key properties of 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine?
2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine has a molecular weight of 363.66 g/mol, XLogP of 6.18, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methoxy-N-trimethylsilylundecan-2-amine is sourced from PubChem (CID 68774959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).