N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine

C16H35N3O3Si — CID 163453659

IUPACN,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCCN(CCN=C(C)C)CCN=C(C)C)(OC)OC
InChIInChI=1S/C16H35N3O3Si/c1-15(2)17-9-12-19(13-10-18-16(3)4)11-8-14-23(20-5,21-6)22-7/h8-14H2,1-7H3
InChIKeyHZRYSWXTFNLXKZ-UHFFFAOYSA-N
MW345.56 g/mol
LogP2.52
Rot. Bonds13

About N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine

N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine (PubChem CID 163453659) has the molecular formula C16H35N3O3Si and a molecular weight of 345.56 g/mol. Its IUPAC name is N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine
PubChem CID163453659
Molecular FormulaC16H35N3O3Si
Molecular Weight345.56 g/mol
Exact Mass345.24
IUPAC NameN,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCCN(CCN=C(C)C)CCN=C(C)C)(OC)OC
InChIInChI=1S/C16H35N3O3Si/c1-15(2)17-9-12-19(13-10-18-16(3)4)11-8-14-23(20-5,21-6)22-7/h8-14H2,1-7H3
InChIKeyHZRYSWXTFNLXKZ-UHFFFAOYSA-N
XLogP2.52
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[2-(4-methylpentan-2-ylideneamino)ethyl]-3-triethoxysilylpropan-1-amine;N,N-bis[2-(4-methylpentan-2-ylideneamino)ethyl]-10-trimethoxysilyldecan-1-amine;N,N-bis[2-(4-methylpentan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine;3-(ethoxy-methoxy-methylsilyl)-N,N-bis[2-(propan-2-ylideneamino)ethyl]propan-1-amine;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]-N-(trimethoxysilylmethyl)ethanamine
CID 163505696
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952
N-[3-[methoxy(dimethyl)silyl]propyl]propan-2-imine
CID 87583755
N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116460
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
3-[hexyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150372013
3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150680640
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
CID 141324806

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine (CID 163453659) is N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine is CO[Si](CCCN(CCN=C(C)C)CCN=C(C)C)(OC)OC.
What is the InChIKey of N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
The InChIKey is HZRYSWXTFNLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3Si/c1-15(2)17-9-12-19(13-10-18-16(3)4)11-8-14-23(20-5,21-6)22-7/h8-14H2,1-7H3.
What are the key properties of N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine has a molecular weight of 345.56 g/mol, XLogP of 2.52, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(propan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 163453659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).