N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine

C26H60N2O2Si2 — CID 173222832

IUPACN',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine
SMILESCCO[SiH2]C(C)(C)CCN(CCCCCCCCCCCCN)CCC(C)(C)[SiH2]OCC
InChIInChI=1S/C26H60N2O2Si2/c1-7-29-31-25(3,4)19-23-28(24-20-26(5,6)32-30-8-2)22-18-16-14-12-10-9-11-13-15-17-21-27/h7-24,27,31-32H2,1-6H3
InChIKeyCWXOKNXQWDBKMJ-UHFFFAOYSA-N
MW488.95 g/mol
LogP5.57
Rot. Bonds24

About N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine

N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine (PubChem CID 173222832) has the molecular formula C26H60N2O2Si2 and a molecular weight of 488.95 g/mol. Its IUPAC name is N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine.

Molecular Properties

Compound NameN',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine
PubChem CID173222832
Molecular FormulaC26H60N2O2Si2
Molecular Weight488.95 g/mol
Exact Mass488.42
IUPAC NameN',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine
SMILESCCO[SiH2]C(C)(C)CCN(CCCCCCCCCCCCN)CCC(C)(C)[SiH2]OCC
InChIInChI=1S/C26H60N2O2Si2/c1-7-29-31-25(3,4)19-23-28(24-20-26(5,6)32-30-8-2)22-18-16-14-12-10-9-11-13-15-17-21-27/h7-24,27,31-32H2,1-6H3
InChIKeyCWXOKNXQWDBKMJ-UHFFFAOYSA-N
XLogP5.57
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.95
LogP ≤ 55.57
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

N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-diethylnonane-1,9-diamine
CID 22055140
3-ethoxysilyl-3-methylbutane-1-thiol
CID 154092584
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine?
The IUPAC name of N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine (CID 173222832) is N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine.
What is the SMILES notation for N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine?
The canonical SMILES for N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine is CCO[SiH2]C(C)(C)CCN(CCCCCCCCCCCCN)CCC(C)(C)[SiH2]OCC.
What is the InChIKey of N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine?
The InChIKey is CWXOKNXQWDBKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H60N2O2Si2/c1-7-29-31-25(3,4)19-23-28(24-20-26(5,6)32-30-8-2)22-18-16-14-12-10-9-11-13-15-17-21-27/h7-24,27,31-32H2,1-6H3.
What are the key properties of N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine?
N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine has a molecular weight of 488.95 g/mol, XLogP of 5.57, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine is sourced from PubChem (CID 173222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).