lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide

C13H33LaN4Si — CID 161324446

IUPAClanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide
SMILESC[N-]C(C)CN(C)CC(C)[N-]C.C[N-][Si](C)(C)C.[La+3]
InChIInChI=1S/C9H21N3.C4H12NSi.La/c1-8(10-3)6-12(5)7-9(2)11-4;1-5-6(2,3)4;/h8-9H,6-7H2,1-5H3;1-4H3;/q-2;-1;+3
InChIKeyVKOSBILYJAIWEU-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.53
Rot. Bonds7

About lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide

lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide (PubChem CID 161324446) has the molecular formula C13H33LaN4Si and a molecular weight of 412.43 g/mol. Its IUPAC name is lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide.

Molecular Properties

Compound Namelanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide
PubChem CID161324446
Molecular FormulaC13H33LaN4Si
Molecular Weight412.43 g/mol
Exact Mass412.15
IUPAC Namelanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide
SMILESC[N-]C(C)CN(C)CC(C)[N-]C.C[N-][Si](C)(C)C.[La+3]
InChIInChI=1S/C9H21N3.C4H12NSi.La/c1-8(10-3)6-12(5)7-9(2)11-4;1-5-6(2,3)4;/h8-9H,6-7H2,1-5H3;1-4H3;/q-2;-1;+3
InChIKeyVKOSBILYJAIWEU-UHFFFAOYSA-N
XLogP3.53
TPSA45.54 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide with MolForge

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Related Compounds

1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine
CID 102246344
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
CID 66141772
2-[methyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide
CID 101456398
N-methyl-4-trimethylsilyl-N-(4-trimethylsilylbutyl)butan-1-amine
CID 15257996
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
CID 59045042
CID 59045042
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748

Frequently Asked Questions

What is the IUPAC name of lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide?
The IUPAC name of lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide (CID 161324446) is lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide.
What is the SMILES notation for lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide?
The canonical SMILES for lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide is C[N-]C(C)CN(C)CC(C)[N-]C.C[N-][Si](C)(C)C.[La+3].
What is the InChIKey of lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide?
The InChIKey is VKOSBILYJAIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C4H12NSi.La/c1-8(10-3)6-12(5)7-9(2)11-4;1-5-6(2,3)4;/h8-9H,6-7H2,1-5H3;1-4H3;/q-2;-1;+3.
What are the key properties of lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide?
lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide has a molecular weight of 412.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide is sourced from PubChem (CID 161324446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).