N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)

C33H76LaN3Si — CID 162282171

IUPACN-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)
SMILESCC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CN(C)[SiH](N(C)C)N(C)C.[CH3-].[CH3-].[CH3-].[La+3]
InChIInChI=1S/3C8H16.C6H19N3Si.3CH3.La/c3*1-7(2)8-5-3-4-6-8;1-7(2)10(8(3)4)9(5)6;;;;/h3*7-8H,3-6H2,1-2H3;10H,1-6H3;3*1H3;/q;;;;3*-1;+3
InChIKeyUBMFYCNBDUSSCR-UHFFFAOYSA-N
MW681.98 g/mol
LogP9.24
Rot. Bonds6

About N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)

N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane) (PubChem CID 162282171) has the molecular formula C33H76LaN3Si and a molecular weight of 681.98 g/mol. Its IUPAC name is N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane).

Molecular Properties

Compound NameN-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)
PubChem CID162282171
Molecular FormulaC33H76LaN3Si
Molecular Weight681.98 g/mol
Exact Mass681.49
IUPAC NameN-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)
SMILESCC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CN(C)[SiH](N(C)C)N(C)C.[CH3-].[CH3-].[CH3-].[La+3]
InChIInChI=1S/3C8H16.C6H19N3Si.3CH3.La/c3*1-7(2)8-5-3-4-6-8;1-7(2)10(8(3)4)9(5)6;;;;/h3*7-8H,3-6H2,1-2H3;10H,1-6H3;3*1H3;/q;;;;3*-1;+3
InChIKeyUBMFYCNBDUSSCR-UHFFFAOYSA-N
XLogP9.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.98
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)?
The IUPAC name of N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane) (CID 162282171) is N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane).
What is the SMILES notation for N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)?
The canonical SMILES for N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane) is CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CN(C)[SiH](N(C)C)N(C)C.[CH3-].[CH3-].[CH3-].[La+3].
What is the InChIKey of N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)?
The InChIKey is UBMFYCNBDUSSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H16.C6H19N3Si.3CH3.La/c3*1-7(2)8-5-3-4-6-8;1-7(2)10(8(3)4)9(5)6;;;;/h3*7-8H,3-6H2,1-2H3;10H,1-6H3;3*1H3;/q;;;;3*-1;+3.
What are the key properties of N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)?
N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane) has a molecular weight of 681.98 g/mol, XLogP of 9.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane) is sourced from PubChem (CID 162282171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).