4-methyl-1-triethoxysilylhexan-1-amine

C13H31NO3Si — CID 175249037

IUPAC4-methyl-1-triethoxysilylhexan-1-amine
SMILESCCO[Si](OCC)(OCC)C(N)CCC(C)CC
InChIInChI=1S/C13H31NO3Si/c1-6-12(5)10-11-13(14)18(15-7-2,16-8-3)17-9-4/h12-13H,6-11,14H2,1-5H3
InChIKeyIQIRTFMAKFMKPN-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.73
Rot. Bonds11

About 4-methyl-1-triethoxysilylhexan-1-amine

4-methyl-1-triethoxysilylhexan-1-amine (PubChem CID 175249037) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 4-methyl-1-triethoxysilylhexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-triethoxysilylhexan-1-amine
PubChem CID175249037
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name4-methyl-1-triethoxysilylhexan-1-amine
SMILESCCO[Si](OCC)(OCC)C(N)CCC(C)CC
InChIInChI=1S/C13H31NO3Si/c1-6-12(5)10-11-13(14)18(15-7-2,16-8-3)17-9-4/h12-13H,6-11,14H2,1-5H3
InChIKeyIQIRTFMAKFMKPN-UHFFFAOYSA-N
XLogP2.73
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-triethoxysilyldecan-1-amine
CID 87463354
1,3-bis(triethoxysilyl)propan-1-amine
CID 154111466
5-methylheptan-2-amine;hydrochloride
CID 127255592
1-[diethoxy(trimethylsilyloxy)silyl]propan-1-amine
CID 88595830
1-[1-aminoethyl(diethoxy)silyl]propan-1-amine
CID 174628727
(amino-ethoxy-ethylsilyl)oxyethane;1-triethoxysilylethanamine
CID 87963460
3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
CID 141086045
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
(3S,7R)-2,3,7-trimethylnonan-4-amine
CID 174014223
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
1-triethoxysilylpropyl 2-methylbutanoate
CID 22902856
1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
CID 87217216

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-triethoxysilylhexan-1-amine?
The IUPAC name of 4-methyl-1-triethoxysilylhexan-1-amine (CID 175249037) is 4-methyl-1-triethoxysilylhexan-1-amine.
What is the SMILES notation for 4-methyl-1-triethoxysilylhexan-1-amine?
The canonical SMILES for 4-methyl-1-triethoxysilylhexan-1-amine is CCO[Si](OCC)(OCC)C(N)CCC(C)CC.
What is the InChIKey of 4-methyl-1-triethoxysilylhexan-1-amine?
The InChIKey is IQIRTFMAKFMKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-6-12(5)10-11-13(14)18(15-7-2,16-8-3)17-9-4/h12-13H,6-11,14H2,1-5H3.
What are the key properties of 4-methyl-1-triethoxysilylhexan-1-amine?
4-methyl-1-triethoxysilylhexan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 2.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-triethoxysilylhexan-1-amine is sourced from PubChem (CID 175249037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).