N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine

C12H30N2O2Si — CID 87634501

IUPACN-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine
SMILESCCO[Si](NC(C)CC)(NC(C)CC)OCC
InChIInChI=1S/C12H30N2O2Si/c1-7-11(5)13-17(15-9-3,16-10-4)14-12(6)8-2/h11-14H,7-10H2,1-6H3
InChIKeyPHTHYLVWWHSRJK-UHFFFAOYSA-N
MW262.47 g/mol
LogP2.27
Rot. Bonds10

About N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine

N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine (PubChem CID 87634501) has the molecular formula C12H30N2O2Si and a molecular weight of 262.47 g/mol. Its IUPAC name is N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine.

Molecular Properties

Compound NameN-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine
PubChem CID87634501
Molecular FormulaC12H30N2O2Si
Molecular Weight262.47 g/mol
Exact Mass262.21
IUPAC NameN-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine
SMILESCCO[Si](NC(C)CC)(NC(C)CC)OCC
InChIInChI=1S/C12H30N2O2Si/c1-7-11(5)13-17(15-9-3,16-10-4)14-12(6)8-2/h11-14H,7-10H2,1-6H3
InChIKeyPHTHYLVWWHSRJK-UHFFFAOYSA-N
XLogP2.27
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(butan-2-ylamino)-dimethoxysilyl]butan-2-amine
CID 87635485
(2S)-N-[[[(2S)-butan-2-yl]amino]-dimethylsilyl]butan-2-amine
CID 124630043
N-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butan-2-amine
CID 140869302
N-[diethoxy(ethyl)silyl]propan-2-amine
CID 87635278
1-triethoxysilyl-N-trimethylsilylethanamine
CID 89350066
N-[diethoxy-(propan-2-yloxyamino)silyl]-2-methylpropan-2-amine
CID 152738799
N-[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]butan-2-amine
CID 154006218
N-butan-2-ylethanesulfonamide
CID 5091177
N-[(tert-butylamino)-diethoxysilyl]-2-methylpropan-2-amine
CID 23279122
diethoxy-di(propan-2-yl)silane
CID 14048564
bromo-butan-2-yl-diethoxysilane
CID 175042762
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416

Frequently Asked Questions

What is the IUPAC name of N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine?
The IUPAC name of N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine (CID 87634501) is N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine.
What is the SMILES notation for N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine?
The canonical SMILES for N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine is CCO[Si](NC(C)CC)(NC(C)CC)OCC.
What is the InChIKey of N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine?
The InChIKey is PHTHYLVWWHSRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O2Si/c1-7-11(5)13-17(15-9-3,16-10-4)14-12(6)8-2/h11-14H,7-10H2,1-6H3.
What are the key properties of N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine?
N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine has a molecular weight of 262.47 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine is sourced from PubChem (CID 87634501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).