N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine

C26H57NO3Si — CID 150630309

IUPACN-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN(CCCC)[Si](C)(C)C(C)(C)C)C(OC)(OC)OC
InChIInChI=1S/C26H57NO3Si/c1-11-13-15-16-17-18-20-24(26(28-6,29-7)30-8)21-19-23-27(22-14-12-2)31(9,10)25(3,4)5/h24H,11-23H2,1-10H3
InChIKeyIXTDMNQMFSTLMH-UHFFFAOYSA-N
MW459.83 g/mol
LogP7.83
Rot. Bonds19

About N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine

N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine (PubChem CID 150630309) has the molecular formula C26H57NO3Si and a molecular weight of 459.83 g/mol. Its IUPAC name is N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine
PubChem CID150630309
Molecular FormulaC26H57NO3Si
Molecular Weight459.83 g/mol
Exact Mass459.41
IUPAC NameN-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN(CCCC)[Si](C)(C)C(C)(C)C)C(OC)(OC)OC
InChIInChI=1S/C26H57NO3Si/c1-11-13-15-16-17-18-20-24(26(28-6,29-7)30-8)21-19-23-27(22-14-12-2)31(9,10)25(3,4)5/h24H,11-23H2,1-10H3
InChIKeyIXTDMNQMFSTLMH-UHFFFAOYSA-N
XLogP7.83
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.83
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(trimethoxymethyl)tridecane
CID 151806345
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
CID 150947658
3-(trimethoxymethyl)undecane
CID 150552650
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
10,10-dimethyl-1-[3-(trimethoxymethyl)undecoxy]undecane
CID 151178773
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine?
The IUPAC name of N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine (CID 150630309) is N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine.
What is the SMILES notation for N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine?
The canonical SMILES for N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine is CCCCCCCCC(CCCN(CCCC)[Si](C)(C)C(C)(C)C)C(OC)(OC)OC.
What is the InChIKey of N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine?
The InChIKey is IXTDMNQMFSTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO3Si/c1-11-13-15-16-17-18-20-24(26(28-6,29-7)30-8)21-19-23-27(22-14-12-2)31(9,10)25(3,4)5/h24H,11-23H2,1-10H3.
What are the key properties of N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine?
N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine has a molecular weight of 459.83 g/mol, XLogP of 7.83, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine is sourced from PubChem (CID 150630309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).