carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide

C12H27LaN2O — CID 172526253

IUPACcarbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide
SMILESCOCC1CCCC1.C[N-]C(C)[N-]C.[CH3-].[La+3]
InChIInChI=1S/C7H14O.C4H10N2.CH3.La/c1-8-6-7-4-2-3-5-7;1-4(5-2)6-3;;/h7H,2-6H2,1H3;4H,1-3H3;1H3;/q;-2;-1;+3
InChIKeyYFLUVGKGLWVOJA-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.61
Rot. Bonds4

About carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide

carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide (PubChem CID 172526253) has the molecular formula C12H27LaN2O and a molecular weight of 354.27 g/mol. Its IUPAC name is carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide.

Molecular Properties

Compound Namecarbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide
PubChem CID172526253
Molecular FormulaC12H27LaN2O
Molecular Weight354.27 g/mol
Exact Mass354.12
IUPAC Namecarbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide
SMILESCOCC1CCCC1.C[N-]C(C)[N-]C.[CH3-].[La+3]
InChIInChI=1S/C7H14O.C4H10N2.CH3.La/c1-8-6-7-4-2-3-5-7;1-4(5-2)6-3;;/h7H,2-6H2,1H3;4H,1-3H3;1H3;/q;-2;-1;+3
InChIKeyYFLUVGKGLWVOJA-UHFFFAOYSA-N
XLogP3.61
TPSA37.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide?
The IUPAC name of carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide (CID 172526253) is carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide.
What is the SMILES notation for carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide?
The canonical SMILES for carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide is COCC1CCCC1.C[N-]C(C)[N-]C.[CH3-].[La+3].
What is the InChIKey of carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide?
The InChIKey is YFLUVGKGLWVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C4H10N2.CH3.La/c1-8-6-7-4-2-3-5-7;1-4(5-2)6-3;;/h7H,2-6H2,1H3;4H,1-3H3;1H3;/q;-2;-1;+3.
What are the key properties of carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide?
carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide has a molecular weight of 354.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;lanthanum(3+);methoxymethylcyclopentane;methyl(1-methylazanidylethyl)azanide is sourced from PubChem (CID 172526253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).